Trifluoroacetic acid → HCID 178447788, compound
Reaction equation
[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]1[N:36]([C:41]([CH:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][S:47](=[O:48])(=[O:49])[Cl:50])=[O:51])[C:37](=[O:40])[O:38][CH2:39]1.[N:1]1([c:7]2[n:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]3)[cH:11][n:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[OH:21][C:22]([C:23]([F:24])([F:25])[F:26])=[O:27]>>[N:1]1([c:7]2[n:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]3)[cH:11][n:12]2)[CH2:2][CH2:3][N:4]([S:47]([CH2:46][CH:42]([C:41]([N:36]2[CH:35]([CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:39][O:38][C:37]2=[O:40])=[O:51])[CH:43]([CH3:44])[CH3:45])(=[O:48])=[O:49])[CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-90e98c41f46743609f1daa25161a6dfc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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