Hydroxide → 2-{[2-(4-{2-[(4-Chlorobenzyl)(ethyl)amino]-2-oxoethoxy}phenyl)ethyl]thio}benzoic acid
Reaction equation
[C:38](#[N:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([C:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][CH2:18][S:19][c:20]3[c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][cH:28][cH:29]3)[cH:15][cH:16]2)=[O:30])[CH2:31][CH3:32])[cH:33][cH:34]1.[Li+:35].[OH-:36].[OH2:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([C:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH2:17][CH2:18][S:19][c:20]3[c:21]([C:22](=[O:23])[OH:24])[cH:26][cH:27][cH:28][cH:29]3)[cH:15][cH:16]2)=[O:30])[CH2:31][CH3:32])[cH:33][cH:34]1Participants
6
Sources & evidence
- ORD record
- ord-8f80cfa9788c4d6ea0469bcdfcaddcb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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