Chloride → 4-{2-[2-(4-Chloro-phenyl)-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-benzoic acid ethyl ester
Reaction equation
[CH2:32]([CH3:33])[O:34][C:35]([c:36]1[cH:37][cH:38][c:39]([NH2:42])[cH:40][cH:41]1)=[O:43].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[Cl-:27].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[CH:17]([C:18](=[O:19])[OH:20])[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:6][cH:7]1.[S:28]([Cl:29])([Cl:30])=[O:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]2[CH:17]([C:18](=[O:20])[NH:42][c:39]2[cH:38][cH:37][c:36]([C:35]([O:34][CH2:32][CH3:33])=[O:43])[cH:41][cH:40]2)[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-cb7d829398d54e6cbbe19d6021605c4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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