Acetic Acid → 3-cyclopentyl-3-[4-(2-{[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

HRID 1543124Notes

Reaction equation

HRID 1543124 reaction equation
[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:12]2)[n:7]1.[N:22]1([CH2:27][CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[CH2:23][CH2:24][CH2:25][CH2:26]1>>[c:2]1([NH:34][c:33]2[cH:32][cH:31][c:30]([O:29][CH2:28][CH2:27][N:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:36][cH:35]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH:13]([CH2:14][C:15]#[N:16])[CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:12]2)[n:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 64937494-(2-(Pyrrolidin-1-yl)ethoxy)anilineHCID 866372883-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile

Product 1

HCID 580145133-cyclopentyl-3-[4-(2-{[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

Sources & evidence

ORD record
ord-84667b944d3a4866838ffb8874065a23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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