Lamotrigine
Katalognummer B1674446
Molekulargewicht: 256.09 g/mol
InChI-Schlüssel: PYZRQGJRPPTADH-UHFFFAOYSA-N
Achtung: Nur für Forschungszwecke. Nicht für den menschlichen oder tierärztlichen Gebrauch.
Patent
US05912345
Procedure details
(E)-2-(2',3'-dichlorophenyl)-2-(guanidinylimino)acetamide as described in Reference Example 1 (0.3 g) was dissolved in ethanol (10 ml) and was irradiated by exposure to sunlight.
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
[Compound]
Name
Example 1
Quantity
0.3 g
Type
reactant
Reaction Step Two
Name
Identifiers
|
REACTION_CXSMILES
|
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1/[C:9](=[N:13]\[NH:14][C:15]([NH2:17])=[NH:16])/[C:10]([NH2:12])=O>C(O)C>[CH:5]1[CH:6]=[C:7]([Cl:8])[C:2]([Cl:1])=[C:3]([C:9]2[N:13]=[N:14][C:15]([NH2:17])=[N:16][C:10]=2[NH2:12])[CH:4]=1
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
0 (± 1) mol
|
|
Type
|
reactant
|
|
Smiles
|
ClC1=C(C=CC=C1Cl)\C(\C(=O)N)=N/NC(=N)N
|
Step Two
[Compound]
|
Name
|
Example 1
|
|
Quantity
|
0.3 g
|
|
Type
|
reactant
|
|
Smiles
|
|
Step Three
|
Name
|
|
|
Quantity
|
10 mL
|
|
Type
|
solvent
|
|
Smiles
|
C(C)O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
was irradiated by exposure to sunlight
|
Outcomes
Product
|
Name
|
|
|
Type
|
|
|
Smiles
|
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
|
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
