1,2-Dichloroethane → HCID 58011902, compound
Reaction equation
[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:19]3[CH2:20][CH2:21]3)[c:10](=[O:18])[n:11]([CH:13]([C:14](=[O:15])[OH:16])[CH3:17])[cH:12]2)[cH:6][cH:7]1.[ClH:38].[F:22][C:23]([c:24]1[cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30][cH:31]1)([F:32])[F:33].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:19]3[CH2:20][CH2:21]3)[c:10](=[O:18])[n:11]([CH:13]([C:14](=[O:15])[NH:28][CH2:27][c:26]3[cH:25][c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30][cH:29]3)[CH3:17])[cH:12]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-221a04ffd9844fb28426e5864da2396b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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