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Acetone → 4-(4-Chloro-2-fluoro-5-hydroxy-phenylamino)-5,8-dimethoxy-quinoline-3-carbonitrile

HRID 194644
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HRID 194644 반응식
[C:18](=[O:19])([O-:20])[O:21][CH3:22].[CH2:33]([O:34][CH:35]([OH:36])[CH3:37])[CH3:38].[CH3:47][OH:48].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[c:7]([O:14][CH3:15])[cH:8][cH:9][c:10]([O:12][CH3:13])[c:11]12.[Cl:23][c:24]1[cH:25][c:26]([F:32])[c:27]([NH2:28])[cH:29][c:30]1[OH:31].[NH4+:45].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH-:46].[OH2:53]>>[c:2]1([NH:28][c:27]2[c:26]([F:32])[cH:25][c:24]([Cl:23])[c:30]([OH:31])[cH:29]2)[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[c:7]([O:14][CH3:15])[cH:8][cH:9][c:10]([O:12][CH3:13])[c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 180AcetoneHCID 223AmmoniumHCID 887MethanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 19660Carbonate IonHCID 1586545-Amino-2-chloro-4-fluorophenol
HCID 4585885
Methylcarbonate
HCID 101298981-Ethoxyethanol
HCID 224665354-Chloro-5,8-dimethoxyquinoline-3-carbonitrile

생성물 1

HCID 224666204-(4-Chloro-2-fluoro-5-hydroxy-phenylamino)-5,8-dimethoxy-quinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-db11f106610a45bea0f72f8859017810
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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