(4-(2-Fluorophenyl)-1-methylpiperidin-4-YL)methanamine → 3-fluoro-N-((4-(2-fluorophenyl)-1-methylpiperidin-4-yl)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.[F:25][c:26]1[c:27]([C:32]2([CH2:39][NH2:40])[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:28][cH:29][cH:30][cH:31]1>>[F:1][c:2]1[c:3]([C:22](=[O:24])[NH:40][CH2:39][C:32]2([c:27]3[c:26]([F:25])[cH:31][cH:30][cH:29][cH:28]3)[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]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 13154048(4-(2-Fluorophenyl)-1-methylpiperidin-4-YL)methanamine

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

생성물 1

HCID 593214283-fluoro-N-((4-(2-fluorophenyl)-1-methylpiperidin-4-yl)methyl)-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)picolinamide

출처 및 근거

ORD 기록: ord-deb3d135e206460ca55b6463718ee542
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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