1,2-Dichloroethane → HCID 178450946, compound
Reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[CH2:29][CH:30]([C:31](=[O:32])[OH:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]1.[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH:1]1([CH2:4][N:5]([c:6]2[c:7]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:8][cH:9][cH:10][cH:11]2)[S:18](=[O:19])(=[O:20])[CH3:21])[CH2:2][CH2:3]1.[Cl:56][CH2:57][Cl:58].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[CH:1]1([CH2:4][N:5]([c:6]2[c:7]([N:12]3[CH2:13][CH2:14][N:15]([C:31]([CH:30]([CH2:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)=[O:32])[CH2:16][CH2:17]3)[cH:8][cH:9][cH:10][cH:11]2)[S:18](=[O:19])(=[O:20])[CH3:21])[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-6bd4e64a0a2246a396642168bfdd97a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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