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Tetrahydrofuran → 4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide

HRID 2317923
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인쇄 미리보기

반응식

HRID 2317923 반응식
[CH2:25]1[CH2:26][NH:27][CH2:28]1.[CH2:29]([P:30]([OH:31])([OH:32])=[O:33])[CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][c:9]([NH:12][C:13](=[O:14])[c:15]3[c:16]([C:21](=[O:22])[OH:23])[cH:17][n:18][n:19]3[CH3:20])[cH:10][cH:11]2)[n:24]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][c:9]([NH:12][C:13](=[O:14])[c:15]3[c:16]([C:21](=[O:22])[N:27]4[CH2:26][CH2:25][CH2:28]4)[cH:17][n:18][n:19]3[CH3:20])[cH:10][cH:11]2)[n:24]1
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반응물 5

HCID 8028TetrahydrofuranHCID 10422AzetidineHCID 81531DiisopropylethylamineHCID 204484Propylphosphonic acidHCID 677767115-(2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid

생성물 1

HCID 57378065
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide

출처 및 근거

ORD 기록
ord-91cda99a00724e448d0d204bc71e07fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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