1,2-Dichloroethane → HCID 178491948, compound
Reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[NH:28][CH2:29][C:30](=[O:31])[OH:32].[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH:17]([NH2:20])[CH2:18][CH2:19]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[Cl:44][CH2:45][Cl:46].[OH2:37].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH:17]([NH:20][C:30]([CH2:29][NH:28][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])=[O:31])[CH2:18][CH2:19]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1Participants
7
Sources & evidence
- ORD record
- ord-2c069da4dbed4a7d89dd4e98c7d36286
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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