1,2-Dichloroethane → HCID 13173179, compound
Reaction equation
[C:7]([CH3:8])([CH3:9])([CH3:10])[c:11]1[cH:12][c:13](-[c:22]2[n:23][c:24]3[n:28]([cH:29]2)[CH2:27][CH2:26][S:25]3)[cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:16]1[OH:17].[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:30].[NH2:31][OH:32].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[c:11]1[cH:12][c:13](-[c:22]2[n:23][c:24]3[n:28]([c:29]2[C:33]#[N:34])[CH2:27][CH2:26][S:25]3)[cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:16]1[OH:17]Participants
8
Sources & evidence
- ORD record
- ord-02b49142487e4f139ac7f641186ff331
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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