1,1-Dichloroethane → HCID 178457082, compound
Reaction equation
[C:50]([Cl:51])(=[O:52])[O:53][CH:54]([Cl:55])[CH3:56].[Cl:57][CH:58]([Cl:59])[CH3:60].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH:13]([CH3:47])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[N:20]2[CH2:21][C:22]3([c:23]4[c:24]([CH2:30][NH:31][CH:32]([CH3:33])[CH3:34])[c:25]([Cl:29])[cH:26][cH:27][c:28]42)[CH2:35][CH2:36][N:37]([CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:38][CH2:39]3)[cH:48][cH:49]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH:13]([CH3:47])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[N:20]2[CH2:21][C:22]3([c:23]4[c:24]([CH2:30][NH:31][CH:32]([CH3:33])[CH3:34])[c:25]([Cl:29])[cH:26][cH:27][c:28]42)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]3)[cH:48][cH:49]1Participants
4
Sources & evidence
- ORD record
- ord-1cef92eb6322418f9c8821dc8601ed55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…