1,2-Dichloroethane → HCID 178479894, compound
Reaction equation
[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH:19]1([CH2:24][CH:25]([C:26](=[O:27])[OH:28])[CH2:29][N:30]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:39]=[O:40])[CH2:20][CH2:21][CH2:22][CH2:23]1.[Cl:1][c:2]1[n:3][c:4]([NH:17][NH2:18])[c:5]([F:16])[c:6]([N:8]2[CH:9]3[CH2:10][N:11]([CH3:15])[CH:12]([CH2:13]2)[CH2:14]3)[n:7]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:41][n:42]1[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[Cl:1][c:2]1[n:3][c:4]([NH:17][NH:18][C:26]([CH:25]([CH2:24][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[CH2:29][N:30]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:39]=[O:40])=[O:27])[c:5]([F:16])[c:6]([N:8]2[CH:9]3[CH2:10][N:11]([CH3:15])[CH:12]([CH2:13]2)[CH2:14]3)[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-920a979b5b8145ef9dc3eb516081e904
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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