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1-Butanol → 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(propan-2-ylamino)pyridine-3-carbonitrile

HRID 679756
노트
인쇄 미리보기

반응식

HRID 679756 반응식
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:39][CH:40]([NH2:41])[CH3:42].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:13]([C:14]#[N:15])[c:16]([I:19])[c:17]3[F:18])[n:7][nH:8]2)[CH2:2][CH2:3]1.[CH:30]([CH3:31])([CH3:32])[N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38].[Cl:43][CH2:44][Cl:45]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:13]([C:14]#[N:15])[c:16]([NH:33][CH:30]([CH3:31])[CH3:32])[c:17]3[F:18])[n:7][nH:8]2)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 2631-ButanolHCID 6344DichloromethaneHCID 6363IsopropylamineHCID 81531DiisopropylethylamineHCID 674567776-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-iodopyridine-3-carbonitrile

생성물 1

HCID 67458904
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-(propan-2-ylamino)pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-37358012d099415eb32715818403b87b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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