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Pyridine → 7-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-5-ethyl-6,7-dihydro-5H-thieno[3,2-b]pyridine-4-carboxylic acid isopropyl ester

HRID 2349936
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HRID 2349936 반응식
[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH:8]([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[c:15]2[c:16]([s:38][cH:39][cH:40]2)[CH:17]([NH:22][CH2:23][c:24]2[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[CH2:18][CH:19]1[CH2:20][CH3:21].[Cl:47][CH2:48][Cl:49].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[CH3:1][C:2](=[O:3])[N:22]([CH:17]1[c:16]2[c:15]([cH:40][cH:39][s:38]2)[N:14]([C:12]([O:11][CH:8]([CH3:9])[CH3:10])=[O:13])[CH:19]([CH2:20][CH3:21])[CH2:18]1)[CH2:23][c:24]1[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1
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참가 물질

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반응물 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 589267187-(3,5-bis-trifluoromethyl-benzylamino)-5-ethyl-6,7-dihydro-5H-thieno[3,2-b]pyridine-4-carboxylic acid isopropyl ester

생성물 1

HCID 115701097-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-5-ethyl-6,7-dihydro-5H-thieno[3,2-b]pyridine-4-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-39c00f72ccbd4005b6605d5cb676df3c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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