Trifluoroacetic acid → 1-tert-butylcarbonylmethyl-2-oxo-3-amino-5-phenyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:47])[CH:10]([NH:26][C:27](=[O:28])[CH:29]([N:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:37]([NH2:38])=[S:39])[CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:11][N:12]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:13]2[c:14]1[cH:15][c:16]([CH3:19])[cH:17][cH:18]2.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:47])[CH:10]([NH2:26])[CH2:11][N:12]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:13]2[c:14]1[cH:15][c:16]([CH3:19])[cH:17][cH:18]2Participants
3
Sources & evidence
- ORD record
- ord-52a1a94c2cfb447bbd64b242ff858d5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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