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Sodium Ion → 2-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-6-trifluoromethyl-benzoic acid

HRID 1226109
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HRID 1226109 반응식
[C:53]([OH:54])([CH3:55])([CH3:56])[CH3:57].[CH3:48][C:49](=[CH:50][CH3:51])[CH3:52].[Cl+:41]([O-:42])[O-:43].[Cl:45][CH2:46][Cl:47].[Na+:40].[Na+:44].[OH2:33].[OH2:34].[OH2:58].[P:35](=[O:36])([O-:37])([OH:38])[OH:39].[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][c:15]([CH2:16][O:17][c:18]3[c:19]([CH:20]=[O:21])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31][cH:32]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[c:2]([CH2:11][O:12][c:13]2[cH:14][c:15]([CH2:16][O:17][c:18]3[c:19]([C:20](=[O:21])[OH:36])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:30][cH:31][cH:32]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 962Water3회HCID 1003DihydrogenphosphateHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148Chlorite
HCID 22241501
2-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-6-trifluoromethyl-benzaldehyde

생성물 1

HCID 222414922-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-6-trifluoromethyl-benzoic acid

출처 및 근거

ORD 기록
ord-cfbda551e44645fe899c62982828f69c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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