Benzene → (5-Benzenesulfonyl-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][NH:10][c:11]2[c:12]([cH:17][cH:18][cH:19][cH:20]2)[N:13]([CH3:16])[C:14]1=[O:15])=[O:21].[Cl:39][CH2:40][Cl:41].[S:22](=[O:23])(=[O:24])([Cl:25])[Cl:26].[cH:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][N:10]([S:22](=[O:23])(=[O:24])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:11]2[c:12]([cH:17][cH:18][cH:19][cH:20]2)[N:13]([CH3:16])[C:14]1=[O:15])=[O:21]Participants
6
Sources & evidence
- ORD record
- ord-64f79599d4c84ad8af876088b22d1217
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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