1,2-Dichloroethane → HCID 58001325, compound
Reaction equation
[CH2:32]([Cl:33])[CH2:34][Cl:35].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][n:17]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1.[N:23]1([CH2:29][CH2:30][NH2:31])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[Cl:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:12](=[O:14])[NH:31][CH2:30][CH2:29][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:15][cH:16][n:17]2)[cH:18][cH:19][c:20]([Cl:22])[cH:21]1Participants
7
Sources & evidence
- ORD record
- ord-1fbb2d5acd614fb5a82f3d9d22ecfe3a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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