Thionyl Chloride → 4-[3-(4-Cyclopropylaminomethyl-pyrazol-1-yl)-phenyl]-7-dimethylamino-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Reaction equation
[CH3:1][N:2]([c:3]1[cH:4][c:5]2[c:6]([cH:26][c:27]1[C:28]([F:29])([F:30])[F:31])[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][c:21]([CH2:23][OH:24])[cH:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2)[CH3:32].[CH:37]1([NH2:40])[CH2:38][CH2:39]1.[S:33]([Cl:34])([Cl:35])=[O:36]>>[CH3:1][N:2]([c:3]1[cH:4][c:5]2[c:6]([cH:26][c:27]1[C:28]([F:29])([F:30])[F:31])[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][c:21]([CH2:23][NH:40][CH:37]4[CH2:38][CH2:39]4)[cH:22]3)[cH:15][cH:16][cH:17]1)=[N:11]2)[CH3:32]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-319a0521aa8c4d5f8cd9ea81a6b70b12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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