Acetic Acid → HCID 178451267, compound
Reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([CH2:27][N:28]([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[S:37](=[O:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([N:46]2[CH2:47][CH2:48][C:49](=[O:52])[CH2:50][CH2:51]2)[cH:44][cH:45]1)=[O:53].[C:54]([O:55][BH-:56]([O:57][C:58](=[O:59])[CH3:60])[O:61][C:62](=[O:63])[CH3:64])(=[O:65])[CH3:66].[CH3:1][C:2](=[O:3])[OH:4].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[NH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([OH:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1.[Na+:67]>>[NH:5]([CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([OH:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1)[CH:49]1[CH2:48][CH2:47][N:46]([c:43]2[cH:42][cH:41][c:40]([S:37]([N:28]([CH2:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:53])[CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])(=[O:38])=[O:39])[cH:45][cH:44]2)[CH2:51][CH2:50]1Participants
7
Sources & evidence
- ORD record
- ord-66735f4b49684f8fa9d6b7d607e3e80f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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