1,2-Dichloroethane → HCID 23537718, compound
Reaction equation
[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[c:6]1[s:7][c:8](-[c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:45]5[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]5)[n:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[cH:19][c:20]23)[cH:9][cH:10]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:54][CH2:55][CH2:56][Cl:57].[H-:52].[Na+:53].[OH2:58]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][c:8](-[c:11]2[n:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:45]5[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]5)[n:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[cH:19][c:20]23)[cH:9][cH:10]1)[CH2:56][CH2:55][Cl:54]Participants
7
Sources & evidence
- ORD record
- ord-1bccf53430a64a958e7533f1b5cb210d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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