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Chloride → Ethyl 2-isopropoxy-3-[4-methoxy-3-({[2-fluoro-4-(trifluoromethyl)benzoyl]amino}methyl)phenyl]propanoate

HRID 1551218
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HRID 1551218 반응식
[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl-:28].[F:29][c:30]1[c:31]([C:32](=[O:33])[O-:34])[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1.[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[O:18][CH:19]([CH3:20])[CH3:21])[cH:6][cH:7][c:8]1[O:9][CH3:10].[OH2:43].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[O:18][CH:19]([CH3:20])[CH3:21])[cH:6][cH:7][c:8]1[O:9][CH3:10])[C:32]([c:31]1[c:30]([F:29])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:35]1)=[O:33]
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참가 물질

7

반응물 6

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 69216072-Fluoro-4-(trifluoromethyl)benzoateHCID 22493983Ethyl 3-[3-(aminomethyl)-4-methoxyphenyl]-2-isopropoxypropanoate

생성물 1

HCID 22493991
Ethyl 2-isopropoxy-3-[4-methoxy-3-({[2-fluoro-4-(trifluoromethyl)benzoyl]amino}methyl)phenyl]propanoate

출처 및 근거

ORD 기록
ord-064dc6a4cdcb4638b4d5960714a49385
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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