Acetonitrile → 11-(6-chlorocaproyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[c:6]2[c:7]([cH:17][cH:18][cH:19][n:20]2)[NH:8][C:9](=[O:16])[c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[CH3:21][C:22]#[N:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:32][CH2:33][CH2:34][C:35]([N:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[C:43](=[O:44])[NH:45][c:46]2[cH:47][cH:48][cH:49][n:50][c:51]21)=[O:52].[GeH4:31].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[C:1]([CH2:2][CH2:3][CH2:35][CH2:34][CH2:33][Cl:32])(=[O:4])[N:5]1[c:6]2[c:7]([cH:17][cH:18][cH:19][n:20]2)[NH:8][C:9](=[O:16])[c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3e486e74199d4755a7974274d4ec3efb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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