Acetic Acid → HCID 67155894, compound
Reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[C:66]([OH:67])(=[O:68])[CH3:69].[CH2:48]=[O:49].[CH3:46][OH:47].[CH3:64][OH:65].[Cl:43][CH2:44][Cl:45].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[n:13]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:14]([C:16]2=[CH:21][CH2:20][NH:19][CH2:18][CH2:17]2)[cH:15]3)[c:31]([F:42])[cH:32][cH:33][c:34]1[NH:35][S:36](=[O:37])(=[O:38])[CH2:39][CH2:40][CH3:41].[Na+:63]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[n:13]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:14]([C:16]2=[CH:21][CH2:20][N:19]([CH3:44])[CH2:18][CH2:17]2)[cH:15]3)[c:31]([F:42])[cH:32][cH:33][c:34]1[NH:35][S:36](=[O:37])(=[O:38])[CH2:39][CH2:40][CH3:41]Participants
8
Sources & evidence
- ORD record
- ord-c5ebceb3b4b1412881beab5e089bc6ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…