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Sodium Ion → Ethyl 4-(isopropylamino)-7-[3-(methylsulphanyl)propoxy]quinazoline-6-carboxylate

HRID 293506
노트
인쇄 미리보기

반응식

HRID 293506 반응식
[CH3:23][S:24][CH2:25][CH2:26][CH2:27][O:28][S:29]([c:30]1[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]1)(=[O:37])=[O:38].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[H-:1].[Na+:2].[OH2:39].[OH:3][c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:6][c:7]2[c:8]([NH:14][CH:15]([CH3:16])[CH3:17])[n:9][cH:10][n:11][c:12]2[cH:13]1>>[O:3]([c:4]1[c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:6][c:7]2[c:8]([NH:14][CH:15]([CH3:16])[CH3:17])[n:9][cH:10][n:11][c:12]2[cH:13]1)[CH2:27][CH2:26][CH2:25][S:24][CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 153109983-(Methylthio)propyl 4-methylbenzenesulfonateHCID 136101838Ethyl 7-hydroxy-4-(isopropylamino)quinazoline-6-carboxylate

생성물 1

HCID 57787956Ethyl 4-(isopropylamino)-7-[3-(methylsulphanyl)propoxy]quinazoline-6-carboxylate

출처 및 근거

ORD 기록
ord-8525deaca76944ea8ead1491bfd9144c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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