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Dichloromethane → (4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HRID 1539740
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인쇄 미리보기

반응식

HRID 1539740 반응식
[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([CH3:51])[cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:48])[c:30]([C:33]#[C:34][C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[O:44][CH2:45][O:46][CH3:47])[cH:31][cH:32]3)[CH2:49][CH3:50])[cH:22][cH:23]2)[cH:16][cH:17]1)=[O:52].[Cl:53][CH2:54][Cl:55].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([CH3:51])[cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:48])[c:30]([C:33]#[C:34][C:35]([C:36]([F:37])([F:38])[F:39])([C:40]([F:41])([F:42])[F:43])[OH:44])[cH:31][cH:32]3)[CH2:49][CH3:50])[cH:22][cH:23]2)[cH:16][cH:17]1)=[O:52]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57709204(4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

생성물 1

HCID 57709077(4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

출처 및 근거

ORD 기록
ord-15bc2a5d51ec4eaa8cbbfe7ae6093fdc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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