2-(Trifluoromethyl)aniline → HCID 22273330, compound
Reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:21][CH:22]1[CH2:23][N:24]([CH2:38][C:39](=[O:40])[OH:41])[CH2:25][CH:26]([CH3:37])[N:27]1[c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[s:34][cH:35][cH:36]2.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[F:1][C:2]([c:3]1[c:4]([NH2:5])[cH:6][cH:7][cH:8][cH:9]1)([F:10])[F:11]>>[F:1][C:2]([c:3]1[c:4]([NH:5][C:39]([CH2:38][N:24]2[CH2:23][CH:22]([CH3:21])[N:27]([c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[s:34][cH:35][cH:36]4)[CH:26]([CH3:37])[CH2:25]2)=[O:40])[cH:6][cH:7][cH:8][cH:9]1)([F:10])[F:11]Participants
6
Sources & evidence
- ORD record
- ord-afefec10dbd44ad78ac4605c95226eea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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