Ethanol → (2-(4-Chloro-phenyl)-2-[4-(1H-pyrazol-4-yl)-phenyl]-ethyl)-methyl-amine

HRID 2342540Notes

Reaction equation

HRID 2342540 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][NH:10][CH3:11])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:6][cH:7]1.[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][n:29][nH:30][cH:31]2)[O:32]1.[CH3:41][CH2:42][OH:43].[CH3:44][OH:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[K+:38].[K+:39].[K+:40].[OH2:53].[P:33]([O-:34])([O-:35])([O-:36])=[O:37]>>[c:2]1(-[c:27]2[cH:28][n:29][nH:30][cH:31]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][NH:10][CH3:11])[c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation3×HCID 887MethanolHCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 57691393[2-(4-Bromo-phenyl)-2-(4-chloro-phenyl)ethyl]-methyl-amine

Product 1

HCID 11438353(2-(4-Chloro-phenyl)-2-[4-(1H-pyrazol-4-yl)-phenyl]-ethyl)-methyl-amine

Sources & evidence

ORD record
ord-42eca622b3be47a8aa8ad05b40e8e249
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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