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Water → Ethyl 2-(5-chloro-6-(cyclopropylmethoxy)-4'-(trifluoromethyl)biphenyl-3-yl)-4-methoxybutanoate

HRID 120645
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반응식

HRID 120645 반응식
[Br:1][c:2]1[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH2:21][O:22][CH3:23])[cH:5][c:6]([Cl:13])[c:7]1[O:8][CH2:9][CH:10]1[CH2:11][CH2:12]1.[C:24](=[O:25])([O-:26])[O-:27].[Cs+:28].[Cs+:29].[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1)([F:41])[F:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:48]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([C:31]([F:30])([F:41])[F:42])[cH:37][cH:36]2)[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH2:21][O:22][CH3:23])[cH:5][c:6]([Cl:13])[c:7]1[O:8][CH2:9][CH:10]1[CH2:11][CH2:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 57995612Ethyl 2-(3-bromo-5-chloro-4-(cyclopropylmethoxy)-phenyl)-4-methoxybutanoate

생성물 1

HCID 57995624
Ethyl 2-(5-chloro-6-(cyclopropylmethoxy)-4'-(trifluoromethyl)biphenyl-3-yl)-4-methoxybutanoate

출처 및 근거

ORD 기록
ord-e92302cebc6549a1be8873a744bcdc8e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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