Acetate → 4-(1-methyl-1H-pyrazol-5-yl)benzenethiol

HRID 680267Notes

Reaction equation

HRID 680267 reaction equation
[Br:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][n:17][n:18]2[CH3:19])[cH:12][cH:13]1.[C:36]([O-:37])(=[O:38])[CH3:39].[C:41]([O-:42])(=[O:43])[CH3:44].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:45][S:46]([CH3:47])=[O:48].[CH:20]([Si:21]([CH:22]([CH3:23])[CH3:25])([SH:24])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:34].[ClH:35].[Na+:32].[Na+:33].[Na+:6].[OH-:31].[Pd+2:40]>>[c:8]1([SH:24])[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][n:17][n:18]2[CH3:19])[cH:12][cH:13]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 312ChlorideHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 923Sodium ion3×HCID 961HydroxideHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3435097Tris(propan-2-yl)silanethiolHCID 45749132-Methylpropan-2-olateHCID 125810925-(4-Bromophenyl)-1-methyl-1H-pyrazole

Product 1

HCID 1363314224-(1-methyl-1H-pyrazol-5-yl)benzenethiol

Sources & evidence

ORD record
ord-9f6d7b7d04de408498504b1ef72d1cd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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