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1-Butanol → 5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(5-fluoro-2-pyridinyl)ethylamino]pyridine-3-carbonitrile

HRID 196804
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인쇄 미리보기

반응식

HRID 196804 반응식
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH:36]([CH3:37])[NH2:38])[n:34][cH:35]1.[OH2:44]>>[c:2]1([NH:38][CH:36]([c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][n:34]2)[CH3:37])[c:3]([C:4]#[N:5])[cH:6][c:7]([Cl:19])[c:8]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[n:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 2631-ButanolHCID 962WaterHCID 81531DiisopropylethylamineHCID 574158241-(5-Fluoropyridin-2-YL)ethanamineHCID 866206072,5-dichloro-6-(5-cyclopropyl-1H-pyrazol-3-ylamino)nicotinonitrile

생성물 1

HCID 674559005-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(5-fluoro-2-pyridinyl)ethylamino]pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-96ab5b2083624baa83014737b60e9cf5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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