Bromide ion → 1-(1-(4-Chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl)-2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanol

HRID 2327856Notes

Reaction equation

HRID 2327856 reaction equation
[Br-:37].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][C:46]#[N:47].[Cl:16][CH2:17][CH:18]([OH:19])[C:20]1([CH3:35])[CH2:21][CH2:22][N:23]([c:26]2[cH:27][c:28]([O:33][CH3:34])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:24][CH2:25]1.[Cl:1][c:2]1[c:3]([CH3:11])[n:4][nH:5][c:6]1[C:7]([F:8])([F:9])[F:10].[Cl:38][OH:39].[H-:12].[H:14][H:15].[Li+:36].[Na+:13]>>[Cl:1][c:2]1[c:3]([CH3:11])[n:4]([CH2:17][CH:18]([OH:19])[C:20]2([CH3:35])[CH2:21][CH2:22][N:23]([c:26]3[cH:27][c:28]([O:33][CH3:34])[c:29]([Cl:32])[cH:30][cH:31]3)[CH2:24][CH2:25]2)[n:5][c:6]1[C:7]([F:8])([F:9])[F:10]

Participants

11

Reactant 10

HCID 259Bromide ionHCID 923Sodium ionHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 24341Hypochlorous AcidHCID 28486Lithium ionHCID 166653HydrideHCID 685589292-Chloro-1-(1-(4-chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl)ethanolHCID 178418361HCID 178418361, compoundHCID 178434610HCID 178434610, compound

Product 1

HCID 248637191-(1-(4-Chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl)-2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanol

Sources & evidence

ORD record
ord-52a53254d2cf4f61bce0ce924ce48d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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