Hydroxide → 2-{[2-(4-{2-[(2-Chlorobenzyl)(ethyl)amino]-2-oxoethoxy}phenyl)ethyl]thio}-benzoic acid
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][S:17][c:18]3[c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25][cH:26][cH:27]3)[cH:13][cH:14]2)=[O:28])[CH2:29][CH3:30])[cH:31][cH:32][cH:33][cH:34]1.[Li+:35].[OH-:36]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][S:17][c:18]3[c:19]([C:20](=[O:21])[OH:22])[cH:24][cH:25][cH:26][cH:27]3)[cH:13][cH:14]2)=[O:28])[CH2:29][CH3:30])[cH:31][cH:32][cH:33][cH:34]1Participants
5
Sources & evidence
- ORD record
- ord-816b0ee914074b26815ab98e7fbf5052
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…