Ethanol → 1-[2-[[4-(3-Chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 6329Methylamine

HCID 698367732-Chloro-1-[2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]pyrrolidin-1-yl]ethanone

생성물 1

HCID 698374201-[2-[[4-(3-Chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

출처 및 근거

ORD 기록: ord-7d490c17a9f24238962518247b571e5b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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