Benzene → 4-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine

HRID 134790Notes

Reaction equation

HRID 134790 reaction equation
[Cl:6][c:7]1[cH:8][c:9]([S:14][c:15]2[c:16]([CH:24]([c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[OH:31])[c:17]([CH3:23])[n:18][n:19]2[CH:20]([CH3:21])[CH3:22])[cH:10][c:11]([Cl:13])[cH:12]1.[Na+:36].[P:1]([I:2])([I:3])([I:4])[I:5].[S:32](=[O:33])([OH:34])[O-:35].[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:6][c:7]1[cH:8][c:9]([S:14][c:15]2[c:16]([CH2:24][c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[c:17]([CH3:23])[n:18][n:19]2[CH:20]([CH3:21])[CH3:22])[cH:10][c:11]([Cl:13])[cH:12]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 923Sodium ionHCID 104748BisulfiteHCID 101583444-[[5-(3,5-dichloro-phenylsulfanyl)-1-isopropyl-3-methyl-1H-pyrazol-4-yl]-hydroxy-methyl]-pyridineHCID 178506613HCID 178506613, compound

Product 1

HCID 99085114-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine

Sources & evidence

ORD record
ord-6f173d94c4ca442aa3d0305287fdbdf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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