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Ethanol → N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-3-fluorophenyl}-N'-[(2,5-dimethyl-3-furyl)carbonyl]thiourea

HRID 1232284
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HRID 1232284 반응식
[CH3:15][c:16]1[o:17][c:18]([CH3:19])[cH:20][c:21]1[C:22]([Cl:23])=[O:24].[CH3:25][c:26]1[o:27][c:28]([CH3:36])[cH:29][c:30]1[C:31](=[O:32])[N:33]=[C:34]=[S:35].[CH3:37][O:38][c:39]1[cH:40][c:41]2[c:42]([O:51][c:52]3[c:53]([F:59])[cH:54][c:55]([NH2:56])[cH:57][cH:58]3)[cH:43][cH:44][n:45][c:46]2[cH:47][c:48]1[O:49][CH3:50].[CH3:5][c:6]1[o:7][c:8]([CH3:9])[cH:10][c:11]1[C:12]([OH:13])=[O:14].[CH3:60][CH2:61][OH:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:25][c:26]1[o:27][c:28]([CH3:36])[cH:29][c:30]1[C:31](=[O:32])[NH:33][C:34](=[S:35])[NH:56][c:55]1[cH:54][c:53]([F:59])[c:52]([O:51][c:42]2[c:41]3[cH:40][c:39]([O:38][CH3:37])[c:48]([O:49][CH3:50])[cH:47][c:46]3[n:45][cH:44][cH:43]2)[cH:58][cH:57]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 1140TolueneHCID 24386Thionyl ChlorideHCID 694652,5-Dimethyl-3-furoic acidHCID 27348042,5-Dimethyl-3-furoyl ChlorideHCID 114269974-((6,7-Dimethoxyquinolin-4-yl)oxy)-3-fluorobenzenamineHCID 150825562,5-Dimethyl-3-furancarbonyl isothiocyanate

생성물 1

HCID 21890065N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-3-fluorophenyl}-N'-[(2,5-dimethyl-3-furyl)carbonyl]thiourea

출처 및 근거

ORD 기록
ord-18d621b1edd445eb8eeb46722a3da506
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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