5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamide → 5-[7-Cyclopropyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

HRID 2148919Notes

Reaction equation

HRID 2148919 reaction equation
[CH:1]1([c:4]2[cH:5][c:6](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[n:7][c:8]3[n:9]2[n:10][cH:11][c:12]3[C:13]#[CH:14])[CH2:2][CH2:3]1.[OH:25][CH2:26][C:27]([CH3:28])([CH3:29])[NH:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][n:36][cH:37][c:38]([Br:40])[cH:39]1>>[CH:1]1([c:4]2[cH:5][c:6](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[n:7][c:8]3[n:9]2[n:10][cH:11][c:12]3[C:13]#[C:14][c:38]2[cH:37][n:36][cH:35][c:34]([S:31]([NH:30][C:27]([CH2:26][OH:25])([CH3:28])[CH3:29])(=[O:32])=[O:33])[cH:39]2)[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 602093435-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-sulfonamideHCID 866080497-Cyclopropyl-3-ethynyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670012035-[7-Cyclopropyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridine-3-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-f15635966316473d8384c42db814d8df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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