Bicarbonate Ion → 3-Amino-9-chloro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine
Reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[N:1](=[N+:2]=[N-:3])[CH:4]1[C:5](=[O:27])[N:6]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:7]2[c:8]([cH:17][cH:18][cH:19][c:20]2[Cl:21])[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[N:10]1.[Na+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:63].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[NH2:1][CH:4]1[C:5](=[O:27])[N:6]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:7]2[c:8]([cH:17][cH:18][cH:19][c:20]2[Cl:21])[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[N:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-492151504dea4685b4ab0620da8dd76d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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