1,2-Dichloroethane → 1-[1-(2-toluoylmethyl)-2-oxo-5-(2,2-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea
Reaction equation
[CH3:39][C:40]([C:41](=[O:42])[Cl:43])([CH2:44][CH3:45])[CH3:46].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:54][CH2:55][CH2:56][Cl:57].[OH2:53].[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:41]([C:40]([CH3:39])([CH2:44][CH3:45])[CH3:46])=[O:42])[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-9504c2a8ec3f49d7922037207ef704c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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