Acetic Acid → HCID 178475839, compound
Reaction equation
[C:21]([CH3:22])(=[O:23])[O:24][CH2:25][CH:26]1[CH:27]([CH2:32][Br:33])[CH2:28][CH:29]=[CH:30][CH2:31]1.[CH3:34][C:35](=[O:36])[OH:37].[H-:19].[NH2:1][c:2]1[n:3][c:4]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[Na+:20].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[NH2:1][c:2]1[n:3][c:4]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:5]2[n:6][cH:7][n:8]([CH2:32][CH:27]3[CH:26]([CH2:25][O:24][C:21]([CH3:22])=[O:23])[CH2:31][CH:30]=[CH:29][CH2:28]3)[c:9]2[n:10]1Participants
7
Sources & evidence
- ORD record
- ord-4720e086f2594b3aacb9658558a1c8bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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