Acetic Acid → HCID 12733936, compound
Reaction equation
[CH3:26][C:27]([OH:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[ClH:1].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH:2][CH2:3][CH2:4][n:5]1[cH:6][c:7]([C:23](=[O:24])[OH:25])[c:8](=[O:22])[c:9]2[cH:10][c:11]([F:21])[c:12]([N:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:13][c:14]12>>[OH:2][CH2:3][CH2:4][n:5]1[cH:6][c:7]([C:23](=[O:24])[OH:25])[c:8](=[O:22])[c:9]2[cH:10][c:11]([F:21])[c:12]([N:15]3[CH2:16][CH2:17][N:18]([C:27]([CH3:26])=[O:28])[CH2:19][CH2:20]3)[cH:13][c:14]12Participants
6
Sources & evidence
- ORD record
- ord-d739f7923e54478ea3c9fff670a304e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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