4-(Dimethylamino)phenyl isocyanate → 1-[4-(dimethylamino)phenyl]-3-{4-[4-morpholin-4-yl-6-(tetrahydro-2H-pyran-4-yloxy)-1,3,5-triazin-2-yl]phenyl}urea

반응식

[CH3:27][N:28]([CH3:29])[c:30]1[cH:31][cH:32][c:33]([N:36]=[C:37]=[O:38])[cH:34][cH:35]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]([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>>[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:37]([NH:36][c:33]4[cH:32][cH:31][c:30]([N:28]([CH3:27])[CH3:29])[cH:35][cH:34]4)=[O:38])[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 27333724-(Dimethylamino)phenyl isocyanate

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

생성물 1

HCID 445160071-[4-(dimethylamino)phenyl]-3-{4-[4-morpholin-4-yl-6-(tetrahydro-2H-pyran-4-yloxy)-1,3,5-triazin-2-yl]phenyl}urea

출처 및 근거

ORD 기록: ord-d7932e2a029c498997cf4b377eaf0fdd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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