N-methyl-2-pyrrolidone → 4-[4-(2-Fluoro-phenyl)-quinazolin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 13387N-methyl-2-pyrrolidone

HCID 12682914-Amino-1-Boc-piperidine

HCID 860461424-(2-Fluorophenyl)-2-Chloro-quinazoline

생성물 1

HCID 687810194-[4-(2-Fluoro-phenyl)-quinazolin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-a31f395558124d7ab71e34ea9ae242b2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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