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

반응식

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

참가 물질

반응물 2

HCID 6558Isobutylamine

HCID 57989694N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-3-pyridinesulfonamide

생성물 1

HCID 57990027N-[2-Fluoro-3-(2-(1-methylethyl)-5-{2-[(2-methylpropyl)amino]-4-pyrimidinyl}-1,3-thiazol-4-yl)phenyl]-3-pyridinesulfonamide

출처 및 근거

ORD 기록: ord-cbc2a97a7698402e9f42c7986b56ff18
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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