N-(6-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-ylthio)imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide → 3-(2-(Cyclopropanecarboxamido)imidazo[1,2-b]pyridazin-6-ylthio)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 46174984N-(6-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-ylthio)imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide

HCID 178524185HCID 178524185, 화합물

생성물 1

HCID 592332813-(2-(Cyclopropanecarboxamido)imidazo[1,2-b]pyridazin-6-ylthio)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

출처 및 근거

ORD 기록: ord-e807182197164d6dbda2a8a85b3f5c14
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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