5-bromo-N-(pyridin-3-yl)thiophene-2-sulfonamide → 5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid pyridin-3-ylamide

HRID 146038

Reaction equation

HRID 146038 reaction equation
[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[CH:13])[F:24].[n:25]1[cH:26][c:27]([NH:31][S:32](=[O:33])(=[O:34])[c:35]2[s:36][c:37]([Br:40])[cH:38][cH:39]2)[cH:28][cH:29][cH:30]1>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[C:13][c:37]1[s:36][c:35]([S:32]([NH:31][c:27]2[cH:26][n:25][cH:30][cH:29][cH:28]2)(=[O:33])=[O:34])[cH:39][cH:38]1)[F:24]

Participants

3

Reactant 2

HCID 9330735-bromo-N-(pyridin-3-yl)thiophene-2-sulfonamideHCID 866080343-Ethynyl-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670012815-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid pyridin-3-ylamide

Sources & evidence

ORD record
ord-b38d3d27045e4cb38440bb7261d30c64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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