Acetic Acid → HCID 178476110, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:42]([CH3:43])[CH3:44])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:37]=[CH:38][C:39](=[O:40])[OH:41])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:83][C:84](=[O:85])[OH:86].[CH3:87][CH2:88][N:89]([CH2:90][CH3:91])[CH2:92][CH3:93].[Cl:79][CH2:80][Cl:81].[ClH:45].[NH2:67][C:68]([C:69](=[O:70])[OH:71])([CH3:72])[CH3:73].[OH2:82].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:42]([CH3:43])[CH3:44])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:37]=[CH:38][C:39](=[O:40])[NH:67][C:68]([C:69](=[O:70])[OH:71])([CH3:72])[CH3:73])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-16ec290a48e74802ba82bf2ddf30e628
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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