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Ethanol → N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2-methylhexanoyl)thiourea

HRID 1234094
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HRID 1234094 반응식
[CH3:14][CH:15]([CH2:16][CH2:17][CH2:18][CH3:19])[C:20]([Cl:21])=[O:22].[CH3:23][CH:24]([C:25](=[O:26])[N:27]=[C:28]=[S:29])[CH2:30][CH2:31][CH2:32][CH3:33].[CH3:57][CH2:58][OH:59].[CH3:5][CH:6]([CH2:7][CH2:8][CH2:9][CH3:10])[C:11]([OH:12])=[O:13].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:34][c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][c:41]1[O:42][c:43]1[cH:44][cH:45][n:46][c:47]2[cH:48][c:49]([O:55][CH3:56])[c:50]([O:53][CH3:54])[cH:51][c:52]12.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:23][CH:24]([C:25](=[O:26])[NH:27][C:28](=[S:29])[NH:38][c:37]1[cH:36][c:35]([Cl:34])[c:41]([O:42][c:43]2[cH:44][cH:45][n:46][c:47]3[cH:48][c:49]([O:55][CH3:56])[c:50]([O:53][CH3:54])[cH:51][c:52]23)[cH:40][cH:39]1)[CH2:30][CH2:31][CH2:32][CH3:33]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 1140TolueneHCID 206532-Methylhexanoic AcidHCID 24386Thionyl ChlorideHCID 34585432-methylhexanoyl ChlorideHCID 117390273-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]anilineHCID 218907272-Methylhexanoyl isothiocyanate

생성물

1
HCID 21890278N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(2-methylhexanoyl)thiourea

출처 및 근거

ORD 기록
ord-dab0af84d52d4a14be125d3ce720c614
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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