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Citrate → Citric Acid

HRID 800283
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인쇄 미리보기

반응식

HRID 800283 반응식
[C:46]([CH2:47][C:48]([OH:49])([C:50](=[O:51])[O-:52])[CH2:53][C:54](=[O:55])[O-:56])(=[O:57])[O-:58].[CH2:30]([CH3:31])[S:32](=[O:33])[c:34]1[c:35]([CH:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:36][cH:37][cH:38][cH:39]1.[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:24]#[N:25])[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH3:26])[CH2:27][CH:28]=[O:29])[cH:5][cH:6][c:7]1[Cl:8]>>[C:46]([CH2:47][C:48]([OH:49])([C:50](=[O:51])[OH:52])[CH2:53][C:54](=[O:55])[OH:56])(=[O:57])[OH:58].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:24]#[N:25])[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH3:26])[CH2:27][CH2:28][N:43]2[CH2:42][CH2:41][CH:40]([c:35]3[c:34]([S:32]([CH2:30][CH3:31])=[O:33])[cH:39][cH:38][cH:37][cH:36]3)[CH2:45][CH2:44]2)[cH:5][cH:6][c:7]1[Cl:8]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 31348CitrateHCID 226223454-(2-Ethylsulfinylphenyl)piperidineHCID 226366813-cyano-N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylnaphthalene-1-carboxamide

생성물 2

HCID 311Citric AcidHCID 226223183-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-(2-ethylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

출처 및 근거

ORD 기록
ord-bf1a9aca6f704833a4d34ee9625ad6c5
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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