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Ethanol → N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2,4-dimethylbenzoyl)thiourea

HRID 2330345
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HRID 2330345 반응식
[CH3:16][c:17]1[cH:18][c:19]([CH3:20])[cH:21][cH:22][c:23]1[C:24]([Cl:25])=[O:26].[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][cH:44][c:45]([NH2:46])[cH:47][cH:48]3)[cH:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40].[CH3:49][c:50]1[c:51]([C:57](=[O:58])[N:59]=[C:60]=[S:61])[cH:52][cH:53][c:54]([CH3:56])[cH:55]1.[CH3:5][c:6]1[cH:7][c:8]([CH3:9])[cH:10][cH:11][c:12]1[C:13]([OH:14])=[O:15].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][CH2:70][OH:71].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][cH:44][c:45]([NH:46][C:60]([NH:59][C:57]([c:51]4[c:50]([CH3:49])[cH:55][c:54]([CH3:56])[cH:53][cH:52]4)=[O:58])=[S:61])[cH:47][cH:48]3)[cH:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 1140TolueneHCID 118972,4-Dimethylbenzoic acidHCID 24386Thionyl ChlorideHCID 1408672,4-Dimethylbenzoyl chlorideHCID 115945434-[(6,7-Dimethoxyquinolin-4-yl)oxy]anilineHCID 167781212,4-Dimethyl-1-benzenecarbonyl isothiocyanate

생성물 1

HCID 21890874N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2,4-dimethylbenzoyl)thiourea

출처 및 근거

ORD 기록
ord-05b122f43b394edfb448fe78b53b5363
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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