Water → (3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amine

HRID 141078Notes

Reaction equation

HRID 141078 reaction equation
[Br:35][c:36]1[cH:37][n:38][c:39]([Cl:42])[n:40][cH:41]1.[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH:49]([CH3:50])[CH3:51])[CH3:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[OH2:67]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:39]2[n:38][cH:37][c:36]([Br:35])[cH:41][n:40]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 6066655-Bromo-2-chloropyrimidineHCID 86585029N-ethyl-3-methyl-N-propan-2-ylbutan-2-amineHCID 86626753{2-[(3,5-Bis-trifluoromethyl-benzylamino)-methyl]-4-trifluoromethyl-phenyl}-butyl-ethyl-amine

Product 1

HCID 86626754(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amine

Sources & evidence

ORD record
ord-9739a6393d0b4c09a9420f52c661526d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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