Propanal → 1-[2,4-bis (4-methyl-1-piperazinyl)-3H-[1,5]benzodiazepin-3-yl]-1-propanol
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:14][c:13]3[c:12]([cH:18][cH:17][cH:16][cH:15]3)[N:11]=[C:10]([N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[CH2:9]2)[CH2:6][CH2:7]1.[CH:26]([N-:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH:34]([CH2:35][CH3:36])=[O:37].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Li+:33].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2=[N:14][c:13]3[c:12]([cH:18][cH:17][cH:16][cH:15]3)[N:11]=[C:10]([N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[CH:9]2[CH:34]([CH2:35][CH3:36])[OH:37])[CH2:6][CH2:7]1Participants
8
Sources & evidence
- ORD record
- ord-996aa2c8da524b98bd9836c66c76a841
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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