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Ammonium → methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-[4-(trifluoromethyl)phenyl]-4-phenyloctahydroisoindole-3a-carboxylate

HRID 1221777
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HRID 1221777 반응식
[CH3:13][O:14][C:15](=[O:16])[C:17]12[CH2:18][N:19]([CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:20][CH:21]1[C:22](=[O:32])[CH2:23][CH2:24][CH:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[Cl-:40].[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([Br:10])[cH:8][cH:9]1)([F:11])[F:12].[Mg:1].[NH4+:41]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:22]2([OH:32])[CH:21]3[C:17]([C:15]([O:14][CH3:13])=[O:16])([CH2:18][N:19]([CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[CH2:20]3)[CH:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:24][CH2:23]2)[cH:8][cH:9]1)([F:11])[F:12]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 223AmmoniumHCID 312ChlorideHCID 3283Diethyl EtherHCID 67872Benzene, 1-bromo-4-(trifluoromethyl)-HCID 5462224MagnesiumHCID 11302988methyl(3aRS,4SR,7aRS)-2-benzyl-7-oxo-4-phenyloctahydroisoindole-3a-carboxylate

생성물 1

HCID 86755051
methyl (3aRS,4SR,7RS,7aRS)-2-benzyl-7-hydroxy-7-[4-(trifluoromethyl)phenyl]-4-phenyloctahydroisoindole-3a-carboxylate

출처 및 근거

ORD 기록
ord-65dc353e772a4e0b95a62cff60fd2186
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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