HRID1200320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID10823279

Methyl 2-bromo-3-methylbenzoate

C9H9BrO2

结构：C=CCc1c(OC)c(C)c2c(c1OC(C)=O)C(=O)OC2

HCID19046317

未命名化合物

HCID178419107

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(C)c1C=CCc1c(OC)c(C)c2c(c1OC(C)=O)C(=O)OC2

HCID54103821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64c17b547c5a4da99edb6746c9e444b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Ag+2:57].[Br:21][c:22]1[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][cH:30][c:31]1[CH3:32].[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]2[c:10]([c:11]([CH3:19])[c:12]([O:17][CH3:18])[c:13]1[CH2:14][CH:15]=[CH2:16])[CH2:9][O:8][C:7]2=[O:20].[C:53](=[O:54])([O-:55])[O-:56].[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:52].[OH2:67].[Pd+2:62].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]2[c:10]([c:11]([CH3:19])[c:12]([O:17][CH3:18])[c:13]1[CH2:14][CH:15]=[CH:16][c:22]1[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][cH:30][c:31]1[CH3:32])[CH2:9][O:8][C:7]2=[O:20]