Hydroxide → 2-{[2-(4-{2-[Ethyl(2-fluorobenzyl)amino]-2-oxoethoxy}phenyl)ethyl]-thio}benzoic acid
Reaction equation
[CH2:1]([CH3:2])[N:3]([C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][S:15][c:16]2[c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][cH:24][cH:25]2)[cH:11][cH:12]1)=[O:26])[CH2:27][c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Li+:35].[OH-:36]>>[CH2:1]([CH3:2])[N:3]([C:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][CH2:14][S:15][c:16]2[c:17]([C:18](=[O:19])[OH:20])[cH:22][cH:23][cH:24][cH:25]2)[cH:11][cH:12]1)=[O:26])[CH2:27][c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1Participants
5
Sources & evidence
- ORD record
- ord-768eb6174eeb4db7ae5a70bba18d7588
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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