Acetic Acid → HCID 68115929, compound
Reaction equation
[C:51]([OH:52])(=[O:53])[CH3:54].[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:1][C:2]([Si:3]([c:4]1[cH:5][cH:39][cH:40][cH:41][cH:42]1)([O:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[CH:17]=[CH:18][c:19]1[c:20]([CH:36]([CH3:37])[CH3:38])[n:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])[CH3:50].[F-:55].[Na+:77].[O-:73][C:74]([OH:75])=[O:76]>>[OH:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[CH:17]=[CH:18][c:19]1[c:20]([CH:36]([CH3:37])[CH3:38])[n:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1Participants
8
Sources & evidence
- ORD record
- ord-54abce8897b24e2c8944996ff9117a9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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