4-Aminobenzoic Acid → 4-(4-(1-(2-cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)benzoic Acid

HRID 1573913Notes

Reaction equation

HRID 1573913 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[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.[NH2:22][c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[c:2]1([NH:22][c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]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

5

Reactant 4

HCID 9784-Aminobenzoic AcidHCID 6101p-Toluenesulfonic acidHCID 312751,4-DioxaneHCID 866372883-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile

Product 1

HCID 580144184-(4-(1-(2-cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)benzoic Acid

Sources & evidence

ORD record
ord-da74f8c93e704b9d926d8f9087421e86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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