Acetate → 2-(4-t-butylphenyl)-2-methyl-5-(N-methyl-anilinomethylene)-cyclopentanone

HRID 2345850

반응식

HRID 2345850 반응식
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]1.[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([O-:40])(=[O:41])[CH3:42].[CH3:1][CH:2]1[C:3](=[O:16])[C:4](=[CH:7][N:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH3:15])[CH2:5][CH2:6]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Na+:33].[Pd+2:38]>>[CH3:1][C:2]1([c:24]2[cH:23][cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:26][cH:25]2)[C:3](=[O:16])[C:4](=[CH:7][N:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH3:15])[CH2:5][CH2:6]1

참가 물질

8

반응물 7

HCID 175Acetate2회HCID 923Sodium ionHCID 1140TolueneHCID 775951-Bromo-4-tert-butylbenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 539601532-methyl-5-(N-methyl-anilinomethylene) cyclopentanone

생성물 1

HCID 698076172-(4-t-butylphenyl)-2-methyl-5-(N-methyl-anilinomethylene)-cyclopentanone

출처 및 근거

ORD 기록
ord-fcf3a84ef92d479e99ebda8a9dd52f35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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