3-Isocyanatopyridine → 1-{4-[4-morpholin-4-yl-6-(tetrahydro-2H-pyran-4-yloxy)-1,3,5-triazin-2-yl]phenyl}-3-pyridin-3-ylurea

반응식

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

참가 물질

반응물 2

HCID 27604933-Isocyanatopyridine

HCID 670218024-[4-morpholin-4-yl-6-(tetrahydro-2H-pyran-4-yloxy)-1,3,5-triazin-2-yl]aniline

생성물 1

HCID 445156991-{4-[4-morpholin-4-yl-6-(tetrahydro-2H-pyran-4-yloxy)-1,3,5-triazin-2-yl]phenyl}-3-pyridin-3-ylurea

출처 및 근거

ORD 기록: ord-1422e997eb864f15bb622538e75d04bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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