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Chloride → N-[4-(3-chloro-4-fluoroanilino)-7-(3-oxolanyloxy)-6-quinazolinyl]-4-(dimethylamino)-2-butenamide

HRID 126581
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인쇄 미리보기

반응식

HRID 126581 반응식
[CH3:46][N:47]([CH3:48])[CH2:49][CH:50]=[O:51].[CH3:52][CH2:53][OH:54].[Cl-:39].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:32][CH:33]4[CH2:34][O:35][CH2:36][CH2:37]4)[c:17]([NH:20][C:21](=[O:22])[CH2:23][P:24](=[O:25])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8].[K+:41].[Li+:38].[OH-:40].[OH2:55].[S:42]([OH:43])([OH:44])=[O:45]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:32][CH:33]4[CH2:34][O:35][CH2:36][CH2:37]4)[c:17]([NH:20][C:21](=[O:22])[CH:23]=[CH:50][CH2:49][N:47]([CH3:46])[CH3:48])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 1100Sulfurous AcidHCID 28486Lithium ionHCID 101976222-(Dimethylamino)acetaldehyde
HCID 21103241
Diethyl (2-((4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)amino)-2-oxoethyl)phosphonate

생성물 1

HCID 53445376N-[4-(3-chloro-4-fluoroanilino)-7-(3-oxolanyloxy)-6-quinazolinyl]-4-(dimethylamino)-2-butenamide

출처 및 근거

ORD 기록
ord-7b02962ce5934dd0a9f92268f59a0330
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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