1,2-Dichloroethane → HCID 178433380, compound
Reaction equation
[CH2:47]([Cl:48])[CH2:49][Cl:50].[CH:16]1([CH2:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][N:27]([O:28][CH:29]2[O:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH:35]=[O:36])[CH2:17][CH2:18][CH2:19][CH2:20]1.[N:1]1([c:6]2[n:7][c:8]([CH3:15])[n:9][c:10]([NH:13][NH2:14])[c:11]2[F:12])[CH2:2][CH:3]=[CH:4][CH2:5]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[N:1]1([c:6]2[n:7][c:8]([CH3:15])[n:9][c:10]([NH:13][NH:14][C:23]([CH:22]([CH2:21][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:26][N:27]([O:28][CH:29]3[O:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[CH:35]=[O:36])=[O:24])[c:11]2[F:12])[CH2:2][CH:3]=[CH:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-ef35e412ac804a9ca8224306a20ca346
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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