4-(Aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol → 3-fluoro-N-((1-(4-fluorophenyl)-4-hydroxycyclohexyl)methyl)-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)picolinamide

반응식

[F:1][c:2]1[c:3]([C:22](=[O:23])[OH:24])[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1.[NH2:25][CH2:26][C:27]1([c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH2:28][CH2:29][CH:30]([OH:33])[CH2:31][CH2:32]1>>[F:1][c:2]1[c:3]([C:22](=[O:24])[NH:25][CH2:26][C:27]2([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:28][CH2:29][CH:30]([OH:33])[CH2:31][CH2:32]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1

참가 물질

반응물 2

HCID 247300574-(Aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol

HCID 592003973-Fluoro-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)picolinic acid

생성물 1

HCID 593214373-fluoro-N-((1-(4-fluorophenyl)-4-hydroxycyclohexyl)methyl)-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)picolinamide

출처 및 근거

ORD 기록: ord-1efe114792ae4acb8bf041ca3a6740fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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