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Toluene → 3-{3-Fluoro-4-[1-(4'-trifluoromethyl-biphenyl-4-yl)-heptyloxy]-benzoylamino}-propionic acid ethyl ester

HRID 1544188
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반응식

HRID 1544188 반응식
[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][CH2:30][NH:31][C:32]([c:33]1[cH:34][c:35]([F:40])[c:36]([OH:39])[cH:37][cH:38]1)=[O:41])=[O:42].[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[OH:22])[cH:13][cH:14]2)[cH:7][cH:8]1)([F:23])[F:24]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[O:22][c:36]3[c:35]([F:40])[cH:34][c:33]([C:32]([NH:31][CH2:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:42])=[O:41])[cH:38][cH:37]3)[cH:13][cH:14]2)[cH:7][cH:8]1)([F:23])[F:24]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 13831TributylphosphineHCID 597294013-(3-Fluoro-4-hydroxy-benzoylamino)-propionic acid ethyl esterHCID 597294131-(4'-Trifluoromethyl-biphenyl-4-yl)-heptan-1-ol

생성물 1

HCID 59729387
3-{3-Fluoro-4-[1-(4'-trifluoromethyl-biphenyl-4-yl)-heptyloxy]-benzoylamino}-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-ef6edf6bfa424440883554139efcb44d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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