1,2-Dichloroethane → Trifluoroacetic acid
Reaction equation
[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.[CH2:36]=[CH:37][C:38]#[N:39].[CH3:40][OH:41].[Cl:42][CH2:43][CH2:44][Cl:45].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F: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]([CH2:36][CH2:37][C:38]#[N:39])[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]Participants
7
Sources & evidence
- ORD record
- ord-f475ea7cbc9743c085133989be09df31
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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