Acetone → HCID 20497993, compound

HRID 697766Notes

Reaction equation

HRID 697766 reaction equation
[CH2:4]([CH:5]=[CH2:6])[SH:7].[CH3:1][O-:2].[CH3:26][OH:27].[CH3:28][C:29](=[O:30])[CH3:31].[CH:32]([OH:33])([CH3:34])[CH3:35].[Cl:9][CH:10]([CH2:11][c:12]1[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]1)[n:20]1[cH:21][n:22][cH:23][cH:24]1.[ClH:25].[ClH:8].[Na+:3].[OH2:36]>>[CH2:4]([CH:5]=[CH2:6])[S:7][CH:10]([CH2:11][c:12]1[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]1)[n:20]1[cH:21][n:22][cH:23][cH:24]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 13367Allyl MercaptanHCID 3826051MethoxideHCID 54209158HCID 54209158, compound

Product 1

HCID 20497993HCID 20497993, compound

Sources & evidence

ORD record
ord-baacaeb4fa18416fb9bf2f2877e97644
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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