Acetone → 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]oxypropanoic acid
Reaction equation
[C:51]([OH:52])([CH2:53][CH3:54])([CH3:55])[CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:44][C:45]([CH3:46])([O-:47])[CH3:48].[CH3:62][C:63](=[O:64])[CH3:65].[ClH:50].[K+:49].[NH2:1][c:2]1[c:3]([Cl:18])[cH:4][c:5]([CH2:12][CH:13]([C:14](=[O:15])[OH:16])[OH:17])[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[OH2:66].[n:19]1([C:24](=[O:25])[N:26]2[CH2:27][CH2:28][CH:29]([N:32]3[C:33](=[O:43])[NH:34][c:35]4[c:36]([cH:39][cH:40][cH:41][cH:42]4)[CH2:37][CH2:38]3)[CH2:30][CH2:31]2)[cH:20][cH:21][n:22][cH:23]1>>[NH2:1][c:2]1[c:3]([Cl:18])[cH:4][c:5]([CH2:12][CH:13]([C:14](=[O:15])[OH:16])[O:17][C:24](=[O:25])[N:26]2[CH2:27][CH2:28][CH:29]([N:32]3[C:33](=[O:43])[NH:34][c:35]4[c:36]([cH:39][cH:40][cH:41][cH:42]4)[CH2:37][CH2:38]3)[CH2:30][CH2:31]2)[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-1729bf96d05f4d7c903e79ccd469bfb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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