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Water → 4-{4-[2-(2-Hydroxy-phenyl)-7-methyl-quinazolin-4-yl]-piperazin-1-yl}-4-oxo-but-2-enoic acid ethyl ester

HRID 1231042
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인쇄 미리보기

반응식

HRID 1231042 반응식
[CH2:25]([CH3:26])[O:27][C:28]([CH:29]=[CH:30][C:31](=[O:32])[OH:33])=[O:34].[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:42][CH2:43][Cl:44].[OH2:45]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][N:22]([C:31]([CH:30]=[CH:29][C:28]([O:27][CH2:25][CH3:26])=[O:34])=[O:32])[CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 413314-Ethoxy-4-oxobut-2-enoic acidHCID 1361346166-[7-methyl-4-(1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone

생성물 1

HCID 1364122494-{4-[2-(2-Hydroxy-phenyl)-7-methyl-quinazolin-4-yl]-piperazin-1-yl}-4-oxo-but-2-enoic acid ethyl ester

출처 및 근거

ORD 기록
ord-d81de64228dc4d8892b53e4f12c9bbf9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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