Bromide ion → methyl(3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylate

HRID 186799

반응식

HRID 186799 반응식
[Br-:28].[Br:39][c:40]1[cH:41][cH:42][c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][cH:48]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[C:11](=[O:27])[CH2:12][CH2:13][CH:14]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:15]2([C:17](=[O:18])[O:19][CH3:20])[CH2:16]1.[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH:29]([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([Mg+:38])[cH:36][cH:37]1.[Mg:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[C:11]([OH:27])([c:35]3[cH:34][cH:33][c:32]([CH:29]([CH3:30])[CH3:31])[cH:37][cH:36]3)[CH2:12][CH2:13][CH:14]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:15]2([C:17](=[O:18])[O:19][CH3:20])[CH2:16]1

참가 물질

7

반응물 6

HCID 259Bromide ionHCID 3283Diethyl EtherHCID 114621-Bromo-4-isopropylbenzeneHCID 5462224MagnesiumHCID 11302988methyl(3aRS,4SR,7aRS)-2-benzyl-7-oxo-4-phenyloctahydroisoindole-3a-carboxylateHCID 178439195HCID 178439195, 화합물

생성물 1

HCID 86755055methyl(3aRS,4SR,7RS,7aRS)-2-benzyl-7-(4-isopropylphenyl)-7-hydroxy-4-phenyloctahydroisoindole-3a-carboxylate

출처 및 근거

ORD 기록
ord-106be4aebc9141ddb606c47e445d7f23
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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