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1-Butanol → 2-[(6-{4-[2-(2-Oxoimidazolidin-1-yl)ethyl]piperazin-1-yl}pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile

HRID 311102
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인쇄 미리보기

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HRID 311102 반응식
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[s:10][c:11]([C:14]#[N:15])[cH:12][n:13]2)[n:5][cH:6][n:7]1.[N:16]1([CH2:22][CH2:23][N:24]2[C:25](=[O:29])[NH:26][CH2:27][CH2:28]2)[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([CH2:22][CH2:23][N:24]3[C:25](=[O:29])[NH:26][CH2:27][CH2:28]3)[CH2:21][CH2:20]2)[cH:3][c:4]([NH:8][c:9]2[s:10][c:11]([C:14]#[N:15])[cH:12][n:13]2)[n:5][cH:6][n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 116873242-[(6-Chloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrileHCID 142083331-[2-(Piperazin-1-yl)ethyl]imidazolidin-2-one

생성물 1

HCID 219346292-[(6-{4-[2-(2-Oxoimidazolidin-1-yl)ethyl]piperazin-1-yl}pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile

출처 및 근거

ORD 기록
ord-c6728654a74b4b2a93c73da510c15459
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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