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

HRID 1227725

Reaction equation

HRID 1227725 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]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]3)[cH:12]2)[n:7]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]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]3)[cH:12]2)[n:7]1

Participants

5

Reactant 4

HCID 9784-Aminobenzoic AcidHCID 6101p-Toluenesulfonic acidHCID 312751,4-DioxaneHCID 866372933-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile

Product 1

HCID 580144544-(4-(1-(2-cyano-1-cyclopropylethyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)benzoic Acid

Sources & evidence

ORD record
ord-dcd4fd07bf274339a1e729cd62f6f883
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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