Acetic Acid → HCID 20774302, compound
Reaction equation
[CH2:60]([N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH3:76].[CH3:77][C:78](=[O:79])[OH:80].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[F-:59].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][CH2:28][O:29][Si:30]([C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])[cH:22][cH:23]1)[NH:37][C:38]([O:39][CH:40]1[CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH:47]13)=[O:48])[OH:49])[CH2:50][CH:51]([CH3:52])[CH3:53])[cH:9]2.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][CH2:28][OH:29])[cH:22][cH:23]1)[NH:37][C:38]([O:39][CH:40]1[CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH:47]13)=[O:48])[OH:49])[CH2:50][CH:51]([CH3:52])[CH3:53])[cH:9]2Participants
7
Sources & evidence
- ORD record
- ord-dfa6486c7bfd4371a0a36259dcefdfb5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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