1,1-Dichloroethane → HCID 178447188, compound
Reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[NH:43][C:44]([CH2:45][C:46](=[O:47])[OH:48])([CH3:49])[CH3:50].[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl:60][CH:61]([Cl:62])[CH3:63].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([C:46]([CH2:45][C:44]([NH:43][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])([CH3:49])[CH3:50])=[O:47])[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-8f25de781b174d4aafc3909a8a72e914
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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