1,2-Dichloroethane → Trifluoroacetic acid
Reaction equation
[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:62][C:63]#[N:64].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38].[F:39][c:40]1[cH:41][cH:42][c:43]([C:46](=[O:47])[OH:48])[n:44][cH:45]1.[NH2:1][c:2]1[c:3]([CH3:31])[c:4](-[c:8]2[cH:9][cH:10][c:11]([C:28](=[O:29])[NH2:30])[c:12]3[nH:13][c:14]4[cH:15][c:16]([N:21]5[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]5)[cH:17][cH:18][c:19]4[c:20]23)[cH:5][cH:6][cH:7]1>>[F:32][C:33]([C:34](=[O:35])[OH:36])([F:37])[F:38].[NH:1]([c:2]1[c:3]([CH3:31])[c:4](-[c:8]2[cH:9][cH:10][c:11]([C:28](=[O:29])[NH2:30])[c:12]3[nH:13][c:14]4[cH:15][c:16]([N:21]5[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]5)[cH:17][cH:18][c:19]4[c:20]23)[cH:5][cH:6][cH:7]1)[C:46]([c:43]1[cH:42][cH:41][c:40]([F:39])[cH:45][n:44]1)=[O:47]Participants
8
Sources & evidence
- ORD record
- ord-4f48bd1db2234d2eb8efe99c19f93e05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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