Ethanol → 3-[({4-[(1-{5-chloro-1-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl}heptyl)amino]phenyl}carbonyl)(methyl)amino]propanoic acid
Reaction equation
[CH3:53][CH2:54][OH:55].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][c:29]3[cH:30][cH:31][c:32]([C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:33][cH:34]3)[n:7](-[c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:8]2[cH:9][cH:10]1.[Na+:52].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:51]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[NH:28][c:29]3[cH:30][cH:31][c:32]([C:35](=[O:36])[N:37]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH3:45])[cH:33][cH:34]3)[n:7](-[c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:8]2[cH:9][cH:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ad14f2ec24594cefb5938acd3dd9eab9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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