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Methanol → 1-(5-Chloro-6-(2,2,2-trifluoroethoxy)-4'-(trifluoromethyl)biphenyl-3-yl)-cyclobutane carboxylic acid

HRID 1128636
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반응식

HRID 1128636 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:10]2[cH:11][c:12](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:13]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[c:14]([Cl:16])[cH:15]2)[CH2:7][CH2:8][CH2:9]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:36][OH:37].[Li+:35].[OH-:34].[OH2:33].[OH2:43]>>[O:3]=[C:4]([OH:5])[C:6]1([c:10]2[cH:11][c:12](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:13]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[c:14]([Cl:16])[cH:15]2)[CH2:7][CH2:8][CH2:9]1
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참가 물질

7

반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 57995639Ethyl-1-(5-chloro-6-(2,2,2-trifluoroethoxy)-4'-(trifluoromethyl)biphenyl-3-yl)-cyclo butane carboxylate

생성물 1

HCID 44131916
1-(5-Chloro-6-(2,2,2-trifluoroethoxy)-4'-(trifluoromethyl)biphenyl-3-yl)-cyclobutane carboxylic acid

출처 및 근거

ORD 기록
ord-1796861a685146caae2ec4c514fd6fda
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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