Trifluoroacetic acid → HCID 178466798, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:45])[c:6]([CH2:39][CH2:40][C:41]([F:42])([F:43])[F:44])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([NH:20][C:21](=[O:22])[c:23]3[n:24][n:25][n:26][n:27]3[CH2:28][c:29]3[cH:30][cH:31][c:32]([O:33][CH3:34])[cH:35][cH:36]3)[c:16]([CH3:19])[cH:17][cH:18]2)[cH:37][cH:38]1.[CH3:53][O:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:45])[c:6]([CH2:39][CH2:40][C:41]([F:42])([F:43])[F:44])[c:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]([NH:20][C:21](=[O:22])[c:23]3[n:24][n:25][n:26][nH:27]3)[c:16]([CH3:19])[cH:17][cH:18]2)[cH:37][cH:38]1Participants
4
Sources & evidence
- ORD record
- ord-97bbeb1f228c41a6bb5cefbd82088663
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…