Acetone → HCID 14533895, compound

HRID 2143847Notes

Reaction equation

HRID 2143847 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][c:23]([SH:32])[cH:24][c:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[c:26]1[OH:27].[CH3:33][C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[n:3][c:4]([Cl:5])[n:6][c:7]([Cl:8])[n:9]1.[Cl:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:10].[Na+:11].[O-:12][S:13](=[O:14])(=[O:15])[O-:16]>>[Cl:1][c:2]1[n:3][c:4]([S:32][c:23]2[cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[c:26]([OH:27])[c:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:24]2)[n:6][c:7]([Cl:8])[n:9]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 7954Cyanuric chlorideHCID 7964ChlorobenzeneHCID 703702,6-Di-tert-butyl-4-mercaptophenol

Product 1

HCID 14533895HCID 14533895, compound

Sources & evidence

ORD record
ord-40f53aa85d8e4f9c87eba05e33ef8abc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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