1,1-Dichloroethane → HCID 21851294, compound
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH:50]([Cl:51])[CH3:52].[NH2:18][CH2:19][CH2:20][CH:21]1[CH2:22][CH2:23][N:24]([c:27]2[n:28][c:29]([Cl:41])[n:30][c:31]3[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][c:36]23)[CH2:25][CH2:26]1.[S:14]([Cl:15])([Cl:16])=[O:17]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([N+:11](=[O:12])[O-:13])[c:6]([C:7](=[O:9])[NH:18][CH2:19][CH2:20][CH:21]2[CH2:22][CH2:23][N:24]([c:27]3[n:28][c:29]([Cl:41])[n:30][c:31]4[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][c:36]34)[CH2:25][CH2:26]2)[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-f0db6179dae9468cbb5d1a999a92e44e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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