Ammonia → 1-(1-(4-chloro-3-methoxyphenyl)piperidin-4-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanamine

HRID 697921Notes

Reaction equation

HRID 697921 reaction equation
[BH4-:30].[CH3:34][CH2:35][OH:36].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[Cl:1][c:2]1[c:3]([O:27][CH3:28])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([C:14]([CH2:15][n:16]3[n:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][c:20]3[CH3:21])=[O:26])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Cl:37][CH2:38][Cl:39].[NH3:29].[NH4+:33].[Na+:31].[OH-:32].[Ti+4:44]>>[Cl:1][c:2]1[c:3]([O:27][CH3:28])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]([CH2:15][n:16]3[n:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][c:20]3[CH3:21])[NH2:29])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 222AmmoniaHCID 223AmmoniumHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 685547771-(1-(4-chloro-3-methoxyphenyl)piperidin-4-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone

Product 1

HCID 685544541-(1-(4-chloro-3-methoxyphenyl)piperidin-4-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanamine

Sources & evidence

ORD record
ord-0b2f81bfd3224bb98dc58de8d125d04c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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