Sodium ion → chloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

HRID 146111

반응식

HRID 146111 반응식
[CH3:39][CH:40]1[CH2:41][CH2:42][CH2:43][O:44]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:25]([cH:26]3)[NH:24][C:22](=[O:23])[CH2:21][CH2:20]4)[CH2:27][CH2:28]2)[c:29]1[Cl:30].[Cl:33][C:34](=[O:35])[O:36][CH2:37][Cl:38].[H-:32].[Na+:31]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:25]([cH:26]3)[N:24]([C:34](=[O:35])[O:36][CH2:37][Cl:38])[C:22](=[O:23])[CH2:21][CH2:20]4)[CH2:27][CH2:28]2)[c:29]1[Cl:30]

참가 물질

7

반응물 6

HCID 923Sodium ionHCID 73012-MethyltetrahydrofuranHCID 8857Ethyl AcetateHCID 60795AripiprazoleHCID 62754Chloromethyl chloroformateHCID 166653Hydride

생성물 1

HCID 66810238chloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

출처 및 근거

ORD 기록
ord-92085568366c42d988f672c506803fd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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