Acetic Acid → HCID 67995347, compound
Reaction equation
[C:66]([OH:67])([CH3:68])([CH3:69])[CH3:70].[C:71]([OH:72])(=[O:73])[CH3:74].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([CH:49]=[O:50])[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][c:39]3[s:40][c:41](-[c:44]4[o:45][cH:46][cH:47][cH:48]4)[cH:42][n:43]3)[c:34]([Cl:37])[cH:35][cH:36]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:51][C:52](=[CH:53][CH3:54])[CH3:55].[Cl+:62]([O-:63])[O-:64].[K+:61].[Na+:65].[P:56](=[O:57])([O-:58])([OH:59])[OH:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([C:49](=[O:50])[OH:57])[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][c:39]3[s:40][c:41](-[c:44]4[o:45][cH:46][cH:47][cH:48]4)[cH:42][n:43]3)[c:34]([Cl:37])[cH:35][cH:36]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1Participants
9
Sources & evidence
- ORD record
- ord-b80e5826ddcd481cb483c8a3b2842b95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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