3-Cyanobenzoic acid → 3-Cyano-N-({1-[4-hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-benzamide
Reaction equation
[C:25](#[N:26])[c:27]1[cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[NH2:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1>>[NH:1]([CH2:2][C:3](=[O:4])[NH:5][CH:6]1[CH2:7][N:8]([CH:10]2[CH2:11][CH2:12][C:13]([c:16]3[cH:17][n:18][c:19]([O:22][CH3:23])[cH:20][cH:21]3)([OH:24])[CH2:14][CH2:15]2)[CH2:9]1)[C:30]([c:29]1[cH:28][c:27]([C:25]#[N:26])[cH:35][cH:34][cH:33]1)=[O:31]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-8d0643a8f32d41c0801c6765b09f06a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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