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

HRID 121180Notes

Reaction equation

HRID 121180 reaction equation
[Cl:1][c:2]1[c:3]([CH3:23])[cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[n:18][cH:19][c:20]3[C:21]#[CH:22])[cH:6][cH:7]1.[OH:24][CH2:25][C:26]([CH3:27])([CH3:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][n:35][c:36]([Cl:38])[s:37]1>>[Cl:1][c:2]1[c:3]([CH3:23])[cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[n:18][cH:19][c:20]3[C:21]#[C:22][c:36]2[n:35][cH:34][c:33]([S:30]([NH:29][C:26]([CH2:25][OH:24])([CH3:27])[CH3:28])(=[O:31])=[O:32])[s:37]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 610526512-Chloro-N-(1-hydroxy-2-methylpropan-2-yl)thiazole-5-sulfonamideHCID 866080535-(4-Chloro-3-methyl-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670009612-[5-(4-Chloro-3-methyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-19a343ba4fc645b98ce620ed56f090b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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