Ethanol → 2-[(4-{2-[[2-(4-Chlorophenyl)ethyl](heptyl)amino]-2-oxoethyl}phenoxy)methyl]benzoic acid
Reaction equation
[CH3:41][CH2:42][OH:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30]2)=[O:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:6][cH:7]1.[K+:40].[OH-:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]([C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[c:20]([C:21](=[O:22])[OH:23])[cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30]2)=[O:31])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-559a49a3f55d4f638765956a1677dc50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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