Acetic Acid → Acetic Acid
Reaction equation
[C:10]([CH3:11])(=[O:12])[OH:13].[C:14]([CH3:15])(=[O:16])[OH:17].[CH3:77][CH2:78][OH:79].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[IH:60].[NH2:61][c:62]1[c:63]([C:70](=[O:71])[NH:72][C:73]([S:74][CH3:75])=[NH:76])[n:64][c:65]([Cl:69])[c:66]([NH2:68])[n:67]1.[OH:18][c:19]1[c:20]([NH:57][CH:58]=[O:59])[cH:21][c:22]([CH:25]([CH2:26][N:27]([CH2:28][CH2:29][CH2:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([CH2:38][CH2:39][CH2:40][CH2:41][NH2:42])[cH:36][cH:37]2)[CH2:43][CH:44]([c:45]2[cH:46][c:47]([NH:52][CH:53]=[O:54])[c:48]([OH:51])[cH:49][cH:50]2)[OH:55])[OH:56])[cH:23][cH:24]1>>[C:10]([CH3:11])(=[O:12])[OH:13].[C:14]([CH3:15])(=[O:16])[OH:17].[OH:18][c:19]1[c:20]([NH:57][CH:58]=[O:59])[cH:21][c:22]([CH:25]([CH2:26][N:27]([CH2:28][CH2:29][CH2:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([CH2:38][CH2:39][CH2:40][CH2:41][NH:42][C:73]([NH:72][C:70]([c:63]3[c:62]([NH2:61])[n:67][c:66]([NH2:68])[c:65]([Cl:69])[n:64]3)=[O:71])=[NH:76])[cH:36][cH:37]2)[CH2:43][CH:44]([c:45]2[cH:46][c:47]([NH:52][CH:53]=[O:54])[c:48]([OH:51])[cH:49][cH:50]2)[OH:55])[OH:56])[cH:23][cH:24]1Participants
8
Sources & evidence
- ORD record
- ord-7232af82383c4a148d6b313fffba9afe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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