1,2-Dichloroethane → HCID 66665336, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:14][C:13]([C:15]([F:16])([F:17])[F:18])([c:19]2[c:20]([F:26])[cH:21][cH:22][c:23]([NH2:25])[cH:24]2)[CH2:12][CH2:11][O:10][CH2:9]1)=[O:27].[C:28](#[N:29])[c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[OH:38])[n:34][cH:35]1.[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:14][C:13]([C:15]([F:16])([F:17])[F:18])([c:19]2[c:20]([F:26])[cH:21][cH:22][c:23]([NH:25][C:36]([c:33]3[cH:32][cH:31][c:30]([C:28]#[N:29])[cH:35][n:34]3)=[O:37])[cH:24]2)[CH2:12][CH2:11][O:10][CH2:9]1)=[O:27]Participants
6
Sources & evidence
- ORD record
- ord-097a63a9e8fb487a84ea32719049a294
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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