Acetate → 2-[4-[4-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid
Reaction equation
[Br:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[CH:32]2[CH:33]([C:37](=[O:38])[OH:39])[CH2:34][CH2:35][CH2:36]2)[cH:40][cH:41]1.[C:42](=[O:43])([O-:44])[O-:45].[Cs+:46].[Cs+:47].[I:1][c:2]1[cH:3][c:4]([F:19])[c:5]([NH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([Cl:18])[cH:17]3)[cH:6][cH:7]1.[K+:24].[O-:20][C:21]([CH3:22])=[O:23].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[c:2]1(-[c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[CH:32]3[CH:33]([C:37](=[O:38])[OH:39])[CH2:34][CH2:35][CH2:36]3)[cH:40][cH:41]2)[cH:3][c:4]([F:19])[c:5]([NH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([Cl:18])[cH:17]3)[cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c78ec2bbeac34df4833cf15b12c5c62e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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