5-bromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide → 5-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

HRID 166408Notes

Reaction equation

HRID 166408 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([CH:14]4[CH2:15][CH2:16]4)[cH:13]2)[n:17][cH:18][c:19]3[C:20]#[CH:21])[cH:6][cH:7]1.[OH:22][CH2:23][C:24]([CH3:25])([CH2:26][OH:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][n:34][cH:35][c:36]([Br:38])[cH:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([CH:14]4[CH2:15][CH2:16]4)[cH:13]2)[n:17][cH:18][c:19]3[C:20]#[C:21][c:36]2[cH:35][n:34][cH:33][c:32]([S:29]([NH:28][C:24]([CH2:23][OH:22])([CH3:25])[CH2:26][OH:27])(=[O:30])=[O:31])[cH:37]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 670009725-bromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamideHCID 866079965-(4-Chloro-phenyl)-7-cyclopropyl-3-ethynyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670010635-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

Sources & evidence

ORD record
ord-2b3eb570994b4e22bab4249f2dd95a45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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