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

HRID 1231510Notes

Reaction equation

HRID 1231510 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])([CH3:26])[NH:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][n:33][c:34]([Cl:36])[s:35]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:34]2[n:33][cH:32][c:31]([S:28]([NH:27][C:24]([CH2:23][OH:22])([CH3:25])[CH3:26])(=[O:29])=[O:30])[s:35]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 610526512-Chloro-N-(1-hydroxy-2-methylpropan-2-yl)thiazole-5-sulfonamideHCID 866079965-(4-Chloro-phenyl)-7-cyclopropyl-3-ethynyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670008272-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-424af9280e104bb0b52f2c157f2a31f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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