1,2-Dichloroethane → 1-[1-(2-toluoylmethyl)-2-oxo-5-(3-chloro-2,2-dimethylpropionyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea
Reaction equation
[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:39][CH2:40][C:41]([C:42](=[O:43])[Cl:44])([CH3:45])[CH3:46].[Cl:59][CH2:60][CH2:61][Cl:62].[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:47]1[cH:48][cH:49][n:50][cH:51][cH:52]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:42]([C:41]([CH2:40][Cl:39])([CH3:45])[CH3:46])=[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-e69604ad19b2441ebbfd8dd99cf5da8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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