Acetone → 1-(4-Amino-2-chlorophenyl)-7,8-methylenedioxy-3,5-dihydro-2,3-benzodiazepin-4(4H)-one
Reaction equation
[CH2:1]1[O:2][c:3]2[c:4]([cH:5][c:6]3[c:7]([cH:24]2)[CH2:8][C:9](=[O:23])[NH:10][N:11]=[C:12]3[c:13]2[c:14]([Cl:22])[cH:15][c:16]([N+:19]([O-:20])=[O:21])[cH:17][cH:18]2)[O:25]1.[CH2:31]([OH:32])[CH3:33].[CH3:27][C:28]([CH3:29])=[O:30].[CH3:34][CH2:35][OH:36].[OH2:26]>>[CH2:1]1[O:2][c:3]2[c:4]([cH:5][c:6]3[c:7]([cH:24]2)[CH2:8][C:9](=[O:23])[NH:10][N:11]=[C:12]3[c:13]2[c:14]([Cl:22])[cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[O:25]1Participants
5
Sources & evidence
- ORD record
- ord-ff7b2ed372e94570b25234899c6a5ff5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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