1,2-Dichloroethane → HCID 178500041, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[CH2:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH2:34]([N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1)[CH3:41].[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH3:22][O:23][C:24]([CH:25]([NH2:26])[CH2:27][c:28]1[cH:29][nH:30][cH:31][n:32]1)=[O:33].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:20].[ClH:21].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[CH2:8][CH:9]([C:10](=[O:12])[NH:26][CH:25]([C:24]([O:23][CH3:22])=[O:33])[CH2:27][c:28]1[cH:29][nH:30][cH:31][n:32]1)[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1Participants
8
Sources & evidence
- ORD record
- ord-efdaec5442f24c2fac661d82d0b096e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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