Isobutylamine → N-{2-Fluoro-3-[5-{2-[(2-methylpropyl)amino]-4-pyrimidinyl}-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}-3-pyridinesulfonamide

반응식

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

참가 물질

반응물 2

HCID 6558Isobutylamine

HCID 57989773N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(4-morpholinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-3-pyridinesulfonamide

생성물 1

HCID 57989729N-{2-Fluoro-3-[5-{2-[(2-methylpropyl)amino]-4-pyrimidinyl}-2-(4-morpholinyl)-1,3-thiazol-4-yl]phenyl}-3-pyridinesulfonamide

출처 및 근거

ORD 기록: ord-68a4b278ed9d47cc9457fb9bf0206133
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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