Acetic Acid → HCID 178490853, compound
Reaction equation
[C:73]([O:74][BH-:75]([O:76][C:77](=[O:78])[CH3:79])[O:80][C:81](=[O:82])[CH3:83])(=[O:84])[CH3:85].[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[O:57][C:58]([NH:59][CH:60]([CH2:61][CH:62]([CH3:63])[CH3:64])[C:65]([NH:66][CH2:67][CH2:68][CH:69]=[O:70])=[O:71])=[O:72].[CH3:98][C:99](=[O:100])[OH:101].[NH2:1][CH:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[CH:10]([OH:11])[CH:12]1[O:13][CH:14]([n:33]2[c:34](=[O:49])[n:35]([CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[c:36](=[O:39])[cH:37][cH:38]2)[CH:15]([O:25][Si:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[CH:16]1[O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24].[Na+:86].[Na+:87].[Na+:88].[O-:89][C:90](=[O:91])[O-:92].[O:93]1[CH2:94][CH2:95][CH2:96][CH2:97]1>>[NH:1]([CH:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[CH:10]([OH:11])[CH:12]1[O:13][CH:14]([n:33]2[c:34](=[O:49])[n:35]([CH2:40][c:41]3[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[c:36](=[O:39])[cH:37][cH:38]2)[CH:15]([O:25][Si:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[CH:16]1[O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:69][CH2:68][CH2:67][NH:66][C:65]([CH:60]([NH:59][C:58]([O:57][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)=[O:72])[CH2:61][CH:62]([CH3:63])[CH3:64])=[O:71]Participants
8
Sources & evidence
- ORD record
- ord-1085066efce8416091e263e1b7693777
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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