Acetic Acid → HCID 86588863, compound
Reaction equation
[CH2:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:14][N:15]1[C:16](=[O:41])[CH2:17][C:18]([CH3:39])([CH3:40])[c:19]2[cH:20][c:21]([CH3:38])[c:22](-[c:25]3[cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31][c:32]3[O:33][C:34]([F:35])([F:36])[F:37])[cH:23][c:24]21.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:42][N:43]1[C:44](=[O:49])[S:45][CH2:46][C:47]1=[O:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][C:57](=[O:58])[OH:59]>>[CH3:14][N:15]1[C:16](=[O:41])[CH2:17][C:18]([CH3:39])([CH3:40])[c:19]2[cH:20][c:21]([CH3:38])[c:22](-[c:25]3[cH:26][c:27]([CH:28]=[C:46]4[S:45][C:44](=[O:49])[N:43]([CH3:42])[C:47]4=[O:48])[cH:30][cH:31][c:32]3[O:33][C:34]([F:35])([F:36])[F:37])[cH:23][c:24]21Participants
7
Sources & evidence
- ORD record
- ord-3767670f7aba48dd9b0eb9207361f2af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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