Acetic Acid → HCID 136380446, compound
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[OH:16][c:17]1[c:18]([CH:19]=[O:20])[c:21]([OH:26])[cH:22][c:23]([OH:25])[cH:24]1.[c:1]1([NH:11][C:12]([NH:13][NH2:14])=[S:15])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([NH:11][C:12]([NH:13][N:14]=[CH:19][c:18]2[c:17]([OH:16])[cH:24][c:23]([OH:25])[cH:22][c:21]2[OH:26])=[S:15])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12Participants
4
Sources & evidence
- ORD record
- ord-faaa234b9a89431dac4c7cbf15f149f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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