5-Bromo-N-[2-(4-pyridinyl)ethyl]-2-thiophenesulfonamide → 5-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-pyridin-4-yl-ethyl)-amide

HRID 145352Notes

Reaction equation

HRID 145352 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.[n:22]1[cH:23][cH:24][c:25]([CH2:28][CH2:29][NH:30][S:31](=[O:32])(=[O:33])[c:34]2[s:35][c:36]([Br:39])[cH:37][cH:38]2)[cH:26][cH:27]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[s:35][c:34]([S:31]([NH:30][CH2:29][CH2:28][c:25]3[cH:24][cH:23][n:22][cH:27][cH:26]3)(=[O:32])=[O:33])[cH:38][cH:37]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 613923805-Bromo-N-[2-(4-pyridinyl)ethyl]-2-thiophenesulfonamideHCID 866079965-(4-Chloro-phenyl)-7-cyclopropyl-3-ethynyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 670001445-[5-(4-Chloro-phenyl)-7-cyclopropyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-pyridin-4-yl-ethyl)-amide

Sources & evidence

ORD record
ord-3c4a298f9a504c74a53036a726656cf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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