REACTION_CXSMILES
|
[CH3:1][CH:2]([NH:7][C:8]1[CH:13]=[C:12]([O:14][CH3:15])[CH:11]=[C:10]2[CH:16]=[CH:17][CH:18]=[N:19][C:9]=12)[CH2:3][CH2:4][CH2:5][NH2:6].OP(O)(O)=O.OP(O)(O)=O.CCCCCCCCCCCCCC(NCC(NC(CCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O)=O>>[CH3:1][CH:2]([NH:7][C:8]1[C:9]2[N:19]=[CH:18][CH:17]=[CH:16][C:10]=2[CH:11]=[C:12]([O:14][CH3:15])[CH:13]=1)[CH2:3][CH2:4][CH2:5][NH2:6] |f:0.1.2|
|
Name
|
|
Quantity
|
0 (± 1) mol
|
Type
|
reactant
|
Smiles
|
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O
|
Name
|
|
Quantity
|
0 (± 1) mol
|
Type
|
reactant
|
Smiles
|
CCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC
|
Conditions are dynamic
|
1
|
Details
|
See reaction.notes.procedure_details.
|
Type
|
WASH
|
Details
|
the resulting liposomes were washed by centrifugation
|
Name
|
|
Type
|
|
Smiles
|
CC(CCCN)NC1=CC(=CC2=C1N=CC=C2)OC
|
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. |