Acetate → Tert-butyl 2-nitro-4-(3-phenyl-1-propenyl)benzoate

HRID 112895

反応式

HRID 112895 の反応式
[Br:8][c:9]1[cH:10][c:11]([N+:22](=[O:23])[O-:24])[c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1.[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH2:47]([CH:48]=[CH2:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Pd+2:60].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[c:9]1([CH:49]=[CH:48][CH2:47][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:10][c:11]([N+:22](=[O:23])[O-:24])[c:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1

参加物

8

反応物 7

HCID 175Acetate2 回HCID 1140TolueneHCID 8471TriethylamineHCID 9309AllylbenzeneHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 26369829tert-Butyl 4-bromo-2-nitrobenzoate

生成物 1

HCID 67344218Tert-butyl 2-nitro-4-(3-phenyl-1-propenyl)benzoate

出典と根拠

ORDレコード
ord-7be4ae29f8584c53b4e3180284860711
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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