4-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline → Tert-butyl 4-[[4-[[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

반응식

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([CH2:35][c:36]2[c:37]([C:45]([F:46])([F:47])[F:48])[cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]2)[CH2:33][CH2:34]1.[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH:6][C:40]([c:39]2[cH:38][c:37]([C:45]([F:46])([F:47])[F:48])[c:36]([CH2:35][N:32]3[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]3)[cH:44][cH:43]2)=[O:41])[cH:7][cH:8]1

참가 물질

반응물 2

HCID 231458394-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

HCID 231458994-[4-(t-Butoxycarbonyl)piperazin-1-ylmethyl]-3-trifluoromethylbenzoic acid

생성물 1

HCID 10055016Tert-butyl 4-[[4-[[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate

출처 및 근거

ORD 기록: ord-34ede12ba781404eabc29999fe2341cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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