1,2-Dichloroethane → 1-(1-(2-toluoylmethyl)-2-oxo-5-isovaleryl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea
Reaction equation
[C:39]([CH2:40][CH:41]([CH3:42])[CH3:43])(=[O:44])[Cl:45].[CH2:57]([Cl:58])[Cl:59].[Cl:53][CH2:54][CH2:55][Cl:56].[OH2:52].[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:46]1[cH:47][cH:48][n:49][cH:50][cH:51]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]([CH2:40][CH:41]([CH3:42])[CH3:43])=[O:44])[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
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2fc07c5d015f426c9ee2dcb9458abeed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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