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Dimethyl Sulfoxide → Ethyl ({5-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy]pyridin-2-yl}carbamothioyl)carbamate

HRID 116006
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인쇄 미리보기

반응식

HRID 116006 반응식
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[N:35]=[C:36]=[S:37].[CH3:39][S:40](=[O:41])[CH3:42].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([CH3:25])([CH3:26])[C:27]#[N:28])[cH:21][cH:22][cH:23]3)=[O:29])[cH:12][cH:13][c:14]2[CH3:15])[cH:6][n:7]1.[OH2:38]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([CH3:25])([CH3:26])[C:27]#[N:28])[cH:21][cH:22][cH:23]3)=[O:29])[cH:12][cH:13][c:14]2[CH3:15])[cH:6][n:7]1)[C:36]([NH:35][C:30]([O:31][CH2:32][CH3:33])=[O:34])=[S:37]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 85320Ethyl isothiocyanatoformateHCID 68724247N-{3-[(6-aminopyridin-3-yl)oxy]-4-methylphenyl}-3-(1-cyano-1-methylethyl)benzamide

생성물 1

HCID 86631986Ethyl ({5-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy]pyridin-2-yl}carbamothioyl)carbamate

출처 및 근거

ORD 기록
ord-634feac402444810ac37cf697fbe317b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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