1,2-Dichloroethane → 1-[1-(2-toluoylmethyl)-2-oxo-5-isobutyryl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea
Reaction equation
[C:39]([CH:40]([CH3:41])[CH3:42])(=[O:43])[Cl:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:57][CH2:58][CH2:59][Cl:60].[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][NH:14][c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][N:14]([C:39]([CH:40]([CH3:41])[CH3:42])=[O:43])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-8e26ed96bad7419ca47e17fcb29c5f2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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