Hydrochloric Acid → 1-(5-Tert-butyl isoxazol-3-yl)-3-(3-(6-methoxyquinazolin-4-ylthio)phenyl)urea

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 111831744-Chloro-6-methoxyquinazoline

HCID 668758091-(5-Tert-butylisoxazol-3-yl)-3-(3-mercaptophenyl)urea

생성물 1

HCID 582678351-(5-Tert-butyl isoxazol-3-yl)-3-(3-(6-methoxyquinazolin-4-ylthio)phenyl)urea

출처 및 근거

ORD 기록: ord-f33edd153f8a4df39ca165369cdf5d08
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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