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

HRID 146900
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HRID 146900 반응식
[BH4-:39].[C:35]([BH3-:36])#[N:37].[CH3:43][OH:44].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([s:16][cH:17][cH:18]2)[C:10](=[O:15])[CH2:11][CH:12]1[CH2:13][CH3:14].[F:19][C:20]([c:21]1[cH:22][c:23]([CH2:24][NH2:25])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[Na+:38].[Na+:40].[Na+:42].[OH-:41]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([s:16][cH:17][cH:18]2)[CH:10]([NH:25][CH2:24][c:23]2[cH:22][c:21]([C:20]([F:19])([F:33])[F:34])[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26]2)[CH2:11][CH:12]1[CH2:13][CH3:14]
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참가 물질

8

반응물 7

HCID 887MethanolHCID 923Sodium Ion3회HCID 961HydroxideHCID 28123BorohydrideHCID 498716Cyano-borohydrideHCID 5210993,5-Bis(trifluoromethyl)benzylamineHCID 589267625-ethyl-7-oxo-6,7-dihydro-5H-thieno[3,2-b]pyridine-4-carboxylic acid isopropyl ester

생성물 1

HCID 589267187-(3,5-bis-trifluoromethyl-benzylamino)-5-ethyl-6,7-dihydro-5H-thieno[3,2-b]pyridine-4-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-681c4844dd9148b681d264d20cdd997d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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