O-Xylene → 11-(4-chlorobutyryl)-5,11-dihydro-6H-pyrido [2,3-b][1,4]-benzodiazepin-6-one
Reaction equation
[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[Cl:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[Cl:7].[c:30]1([CH3:31])[c:32]([CH3:33])[cH:34][cH:35][cH:36][cH:37]1.[n:8]1[cH:9][cH:10][cH:11][c:12]2[c:13]1[NH:14][c:15]1[c:16]([cH:20][cH:21][cH:22][cH:23]1)[C:17](=[O:19])[NH:18]2>>[Cl:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[N:14]1[c:13]2[n:8][cH:9][cH:10][cH:11][c:12]2[NH:18][C:17](=[O:19])[c:16]2[c:15]1[cH:23][cH:22][cH:21][cH:20]2Participants
5
Sources & evidence
- ORD record
- ord-e1ddab547a814e15b59ffe94b78ffc18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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