Dimethyl Sulfoxide → Ethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate

HRID 1548523

반응식

[CH3:32][S:33]([CH3:34])=[O:35].[N:24](=[C:25]=[S:26])[C:27](=[O:28])[O:29][CH2:30][CH3:31].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([Cl:23])[c:13]([NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:14]2)[cH:6][n:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([Cl:23])[c:13]([NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:14]2)[cH:6][n:7]1)[C:25]([NH:24][C:27](=[O:28])[O:29][CH2:30][CH3:31])=[S:26]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 85320Ethyl isothiocyanatoformate

HCID 57749356Tert-butyl {5-[(6-aminopyridin-3-yl)oxy]-2-chlorophenyl}carbamate

생성물 1

HCID 57749196Ethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate

출처 및 근거

ORD 기록: ord-615008c0dd3e4b45b2edbadf249cf2c7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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