Acetic Acid → HCID 85333249, compound
Reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH3:1][C:2](=[O:3])[OH:4].[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+:63].[O:21]=[C:22]1[S:23][CH:24]([CH2:36][c:37]2[cH:38][cH:39][c:40]([N:43]3[CH2:44][CH2:45][C:46](=[O:49])[CH2:47][CH2:48]3)[cH:41][cH:42]2)[C:25](=[O:35])[N:26]1[CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68]>>[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:46]1[CH2:45][CH2:44][N:43]([c:40]2[cH:39][cH:38][c:37]([CH2:36][CH:24]3[S:23][C:22](=[O:21])[N:26]([CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:25]3=[O:35])[cH:42][cH:41]2)[CH2:48][CH2:47]1Participants
7
Sources & evidence
- ORD record
- ord-025f9b9521124184bece82fbeca361f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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