1,2-Dichloroethane → HCID 75076111, compound
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][c:23](-[c:33]2[cH:34][cH:35][n:36][cH:37][cH:38]2)[c:24]([CH:27]2[CH:28]([C:30](=[O:31])[OH:32])[CH2:29]2)[cH:25][cH:26]1.[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:16])[c:8]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:9][cH:10]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[NH:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:16])[c:8]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:9][cH:10]1)[C:30]([CH:28]1[CH:27]([c:24]2[c:23](-[c:33]3[cH:34][cH:35][n:36][cH:37][cH:38]3)[cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:26][cH:25]2)[CH2:29]1)=[O:31]Participants
8
Sources & evidence
- ORD record
- ord-046c648d6c63448794e1468e0d433ef3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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