Hydrochloric Acid → 3-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-hydroxymethyl-butyryl]-piperidin-4-yl}1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
Reaction equation
[BH4-:51].[C:39]([n:40]1[cH:41][cH:42][n:43][cH:44]1)([n:45]1[cH:46][cH:47][n:48][cH:49]1)=[O:50].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[ClH:53].[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37].[Na+:52].[OH2:59]>>[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([CH2:8][OH:9])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-baf44606c07d433d8a228ccd78dfc956
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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