1,2-Dichloroethane → HCID 67732713, compound
Reaction equation
[CH2:26]([Cl:27])[CH2:28][Cl:29].[CH3:31][O:32][C:33]([CH:34]([NH:35][C:36]([CH2:37][N:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12)[CH2:50][CH:51]([CH:52]([CH2:53][CH3:54])[CH3:55])[NH2:56])=[O:57])[CH2:58][CH2:59][S:60][CH3:61])=[O:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:8][cH:9]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:16][n:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[n:24][n:25]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][C:13](=[O:15])[NH:56][CH:51]([CH2:50][N:38]([CH2:37][C:36]([NH:35][CH:34]([C:33]([O:32][CH3:31])=[O:62])[CH2:58][CH2:59][S:60][CH3:61])=[O:57])[CH2:39][c:40]2[cH:41][cH:42][cH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH:52]([CH2:53][CH3:54])[CH3:55])[cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-5eff283434c8448bb35bb44f7050818e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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