2-(Methylthio)benzylamine → N-(2-(methylthio)benzyl)-2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

반응식

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

참가 물질

반응물 2

HCID 27369812-(Methylthio)benzylamine

HCID 546914342-(2,6-Difluoro-phenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid ethyl ester

생성물 1

HCID 54676258N-(2-(methylthio)benzyl)-2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

출처 및 근거

ORD 기록: ord-9ec42822d83e4b8e9d628928a3c8bbfe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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