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Sodium Ion → Ethyl 6-chloro-4-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenylamino)quinoline-3-carboxylate

HRID 1210207
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반응식

HRID 1210207 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:1][c:2]1[c:3]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][c:11]12.[NH2:18][c:19]1[cH:20][c:21]([C:35]([F:36])([F:37])[F:38])[c:22]([N:25]2[CH2:26][CH2:27][N:28]([C:31]([CH2:32][CH3:33])=[O:34])[CH2:29][CH2:30]2)[cH:23][cH:24]1.[Na+:40].[OH-:39]>>[c:2]1([NH:18][c:19]2[cH:20][c:21]([C:35]([F:36])([F:37])[F:38])[c:22]([N:25]3[CH2:26][CH2:27][N:28]([C:31]([CH2:32][CH3:33])=[O:34])[CH2:29][CH2:30]3)[cH:23][cH:24]2)[c:3]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 6

HCID 923Sodium IonHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 1479087Ethyl 4,6-dichloroquinoline-3-carboxylateHCID 585251011-(4-(4-Amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-one

생성물 1

HCID 58525139
Ethyl 6-chloro-4-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenylamino)quinoline-3-carboxylate

출처 및 근거

ORD 기록
ord-7ea1c27283fb48219d80345f2be76a0b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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