Acetone → HCID 3076419, compound

HRID 1547815Notes

Reaction equation

HRID 1547815 reaction equation
[C:42]([O-:43])(=[O:44])[C:45]([O-:46])=[O:47].[CH3:55][C:56](=[O:57])[CH3:58].[NH:1]=[c:2]1[s:3][c:4]2[c:5]([n:6]1[CH2:7][CH2:8][S:9][c:10]1[cH:11][cH:12][n:13][cH:14][cH:15]1)[cH:16][cH:17][c:18]([O:20][C:21]([F:22])([F:23])[F:24])[cH:19]2.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:48].[OH:25][O:26][C:27]([c:28]1[cH:29][c:30]([Cl:31])[cH:32][cH:33][cH:34]1)=[O:35].[OH:36][C:37]([C:38](=[O:39])[OH:40])=[O:41]>>[NH:1]=[c:2]1[s:3][c:4]2[c:5]([n:6]1[CH2:7][CH2:8][S:9]([c:10]1[cH:11][cH:12][n:13][cH:14][cH:15]1)=[O:25])[cH:16][cH:17][c:18]([O:20][C:21]([F:22])([F:23])[F:24])[cH:19]2

Participants

8

Reactant 7

HCID 180AcetoneHCID 962WaterHCID 971Oxalic AcidHCID 312751,4-DioxaneHCID 70297m-Chloroperbenzoic acidHCID 71081OxalateHCID 3076386HCID 3076386, compound

Product 1

HCID 3076419HCID 3076419, compound

Sources & evidence

ORD record
ord-9660a1d3f3d949adbd31d81510ead740
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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