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Hydrochloric Acid → Ethyl 3-[2-fluoro-4-({4-[(propyl{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]benzyl}oxy)phenyl]propanoate

HRID 113937
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HRID 113937 반응식
[CH2:1]([CH2:2][CH3:3])[NH:4][c:5]1[s:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:9]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][O:29][c:30]2[cH:31][c:32]([F:43])[c:33]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:34][cH:35]2)[cH:44][cH:45]1.[ClH:46].[H-:20].[Na+:21]>>[CH2:1]([CH2:2][CH3:3])[N:4]([c:5]1[s:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:9]1)[CH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][O:29][c:30]2[cH:31][c:32]([F:43])[c:33]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:34][cH:35]2)[cH:44][cH:45]1
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반응물 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 23082955N-Propyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amineHCID 23143241Ethyl 3-(4-([4-(chloromethyl)benzyl]oxy}-2-fluorophenyl)propanoate

생성물 1

HCID 23143337
Ethyl 3-[2-fluoro-4-({4-[(propyl{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]benzyl}oxy)phenyl]propanoate

출처 및 근거

ORD 기록
ord-18a980f8410f4e14829b9003acfe07f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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