1,1-Dichloroethane → HCID 136383518, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]1([CH2:38][CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[C:10](=[O:37])[C:11]([C:20]2=[N:21][S:22](=[O:35])(=[O:36])[c:23]3[c:24]([cH:26][cH:27][c:28]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[cH:29]3)[NH:25]2)=[C:12]([OH:19])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]21.[CH3:44][C:45](=[O:46])[O:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:58][CH:59]([Cl:60])[CH3:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]1([CH2:38][CH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])[C:10](=[O:37])[C:11]([C:20]2=[N:21][S:22](=[O:35])(=[O:36])[c:23]3[c:24]([cH:26][cH:27][c:28]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[cH:29]3)[NH:25]2)=[C:12]([OH:19])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]21)[C:45]([CH3:44])=[O:46]Participants
5
Sources & evidence
- ORD record
- ord-c79b5fd3a5854018a13ec2f8c4163939
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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