1,2-Dichloroethane → HCID 22034100, compound
Reaction equation
[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:1][c:2]1[c:3]([O:14][c:15]2[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[cH:19][c:20]2[CH3:21])[n:4][c:5]([CH3:13])[cH:6][c:7]1[NH:8][CH2:9][CH2:10][NH:11][CH3:12].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][C:35](=[O:36])[OH:37])[cH:29][cH:30][c:31]1[O:32][CH3:33].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[CH3:1][c:2]1[c:3]([O:14][c:15]2[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[cH:19][c:20]2[CH3:21])[n:4][c:5]([CH3:13])[cH:6][c:7]1[NH:8][CH2:9][CH2:10][NH:11][C:35]([CH2:34][c:28]1[cH:27][c:26]([O:25][CH3:24])[c:31]([O:32][CH3:33])[cH:30][cH:29]1)=[O:37]Participants
7
Sources & evidence
- ORD record
- ord-239439db2e8148ebb84990e1413c9327
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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