1,2-Dichloroethane → HCID 15483721, compound
Reaction equation
[C:35]([c:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1)(=[O:42])[OH:43].[CH2:49]([N+:50]([CH2:51][CH3:52])([CH2:53][CH3:54])[CH2:55][CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[c:16]([CH3:22])[n:17][n:18]([CH3:21])[c:19]3[OH:20])[c:10]([CH3:12])[c:11]21.[Cl-:34].[Cl-:48].[Cl:44][CH2:45][CH2:46][Cl:47].[ClH:33].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[c:16]([CH3:22])[n:17][n:18]([CH3:21])[c:19]3[O:20][C:35]([c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)=[O:42])[c:10]([CH3:12])[c:11]21Participants
8
Sources & evidence
- ORD record
- ord-8985cfed2b7e43628f8b64b42f97c252
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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