Acetic Acid → HCID 173735950, compound
Reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[C:74]([O:75][BH-:76]([O:77][C:78](=[O:79])[CH3:80])[O:81][C:82](=[O:83])[CH3:84])(=[O:85])[CH3:86].[CH3:88][OH:89].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:17](=[O:18])[CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([O:27][C:28]([NH:29][c:30]3[c:31](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33][cH:34][cH:35]3)=[O:42])[CH2:25][CH2:26]2)[CH3:43])[cH:7][cH:8]1.[Cl:71][CH2:72][Cl:73].[NH2:48][CH2:49][CH:50]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]1[c:60]2[cH:61][cH:62][c:63](=[O:70])[nH:64][c:65]2[c:66]([OH:69])[cH:67][cH:68]1.[Na+:87]>>[c:3]1([CH2:44][NH:48][CH2:49][CH:50]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]2[c:60]3[cH:61][cH:62][c:63](=[O:70])[nH:64][c:65]3[c:66]([OH:69])[cH:67][cH:68]2)[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:17](=[O:18])[CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH:24]([O:27][C:28]([NH:29][c:30]3[c:31](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:32][cH:33][cH:34][cH:35]3)=[O:42])[CH2:25][CH2:26]2)[CH3:43])[cH:7][cH:8]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-473fbd0d9b8741799fbc5fece9c5b2cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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