Acetic Acid → HCID 54272085, compound
Reaction equation
[CH3:36][I:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[C:8]1[CH2:9][CH2:10][n:11]2[c:12]1[n:13][c:14]1[cH:15][c:16]([NH:22][C:23](=[O:24])[c:25]3[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]3)[cH:17][cH:18][c:19]1[c:20]2=[O:21].[H-:35].[Na+:34].[OH2:47]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[C:8]1[CH2:9][CH2:10][n:11]2[c:12]1[n:13][c:14]1[cH:15][c:16]([N:22]([C:23](=[O:24])[c:25]3[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33]3)[CH3:38])[cH:17][cH:18][c:19]1[c:20]2=[O:21]Participants
8
Sources & evidence
- ORD record
- ord-127fd3ee8b4543669ea8008d03782fc0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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