Ethanol → 4-{[1-(5-chloro-1-methyl-1H-indol-2-yl)heptyl]amino}benzoic acid
Reaction equation
[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]3)[n:7]([CH3:11])[c:8]2[cH:9][cH:10]1.[Na+:36].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:35]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:28][cH:29]3)[n:7]([CH3:11])[c:8]2[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-4f40afdbd5794cfcb39d7095607eb299
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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