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Methanol → Tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate

HRID 1143022
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HRID 1143022 반응식
[BH4-:41].[CH3:43][OH:44].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:6]=[O:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16].[NH2:17][CH:18]1[c:19]2[c:20]([cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[c:34]([CH3:36])[cH:35]2)[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]1.[Na+:42]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:17][CH:18]2[c:19]3[c:20]([cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[c:34]([CH3:36])[cH:35]3)[N:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16]
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참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 28123BorohydrideHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 67423514Tert-butyl 5-amino-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate

생성물 1

HCID 72297304
Tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate

출처 및 근거

ORD 기록
ord-d30ccc2c03224d139fc9d29ecf4e19c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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