Acetone → HCID 59556702, compound

HRID 113941Notes

Reaction equation

HRID 113941 reaction equation
[CH3:1][O:2][CH:3]([c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([O:23][CH:24]([CH3:25])[CH3:26])[c:19]([C:20]#[N:21])[cH:22]3)[n:13][o:14]2)[cH:8][cH:9]1)[O:27][CH3:28].[CH3:41][C:42](=[O:43])[CH3:44].[OH2:29].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[O:2]=[CH:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([O:23][CH:24]([CH3:25])[CH3:26])[c:19]([C:20]#[N:21])[cH:22]3)[n:13][o:14]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 59556666HCID 59556666, compound

Product 1

HCID 59556702HCID 59556702, compound

Sources & evidence

ORD record
ord-85dd65d0c15a4bd68bb356fa5d4dc459
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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