Acetic Acid → HCID 178459440, compound
Reaction equation
[C:68](=[O:69])([O-:70])[OH:71].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH2:38][O:39][CH2:40][CH2:41][NH:42][C:43](=[O:44])[NH2:45])[CH2:9][CH:10]([S:12][C:13]2=[C:14]([C:32](=[O:33])[O:34][CH2:35][CH:36]=[CH2:37])[N:15]3[C:16](=[O:31])[CH:17]([CH:21]([C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][O:27][SiH:28]([CH3:29])[CH3:30])[CH:18]3[CH:19]2[CH3:20])[CH2:11]1.[CH3:46][C:47]([OH:48])=[O:49].[CH3:51][CH2:52][CH2:53][CH2:54][N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[F-:50].[Na+:72].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH2:78]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH2:38][O:39][CH2:40][CH2:41][NH:42][C:43](=[O:44])[NH2:45])[CH2:9][CH:10]([S:12][C:13]2=[C:14]([C:32](=[O:33])[O:34][CH2:35][CH:36]=[CH2:37])[N:15]3[C:16](=[O:31])[CH:17]([CH:47]([CH3:46])[OH:48])[CH:18]3[CH:19]2[CH3:20])[CH2:11]1Participants
10
Sources & evidence
- ORD record
- ord-aa84e4ced3cc490a9a8107413fdacf16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…