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1-Butanol → 6-Chloro-N4-(5-isopropyl-1H-pyrazol-3-yl)-N2-(3-phenylisoxazol-5-ylmethyl)-pyrimidine-2,4-diamine

HRID 1140748
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인쇄 미리보기

반응식

HRID 1140748 반응식
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[n:3][c:4]([Cl:17])[cH:5][c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[n:7]1.[c:27]1(-[c:33]2[n:34][o:35][c:36]([CH2:38][NH2:39])[cH:37]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:2]1([NH:39][CH2:38][c:36]2[o:35][n:34][c:33](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:37]2)[n:3][c:4]([Cl:17])[cH:5][c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[n:7]1
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참가 물질

5

반응물 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 27641651-(3-Phenyl-1,2-oxazol-5-yl)methanamineHCID 578664512,6-Dichloropyrimidin-4-yl-(5-isopropyl-1H-pyrazol-3-yl)-amine

생성물 1

HCID 578664486-Chloro-N4-(5-isopropyl-1H-pyrazol-3-yl)-N2-(3-phenylisoxazol-5-ylmethyl)-pyrimidine-2,4-diamine

출처 및 근거

ORD 기록
ord-c7794283ebd14098aa26b8daf955d8c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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