HRID691200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)P(c1ccc2ccccc2c1-c1cccc2ccccc12)C(C)(C)C

HCID2734941

[1,1'-Binaphthalen]-2-yldi-tert-butylphosphine

C28H31P

结构：COC(=O)C(Cc1ccc(OC(CO)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(Br)c1)NC(=O)OC(C)(C)C

HCID66719335

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc2c(c1)OCC(c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)O2)NC(=O)OC(C)(C)C

HCID66719190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4d265d839064337a0fdfa921b41aba1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:42]([P:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:48]1[cH:49][cH:50][c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[c:57]1-[c:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67]1)([CH3:68])([CH3:69])[CH3:70].[C:71](=[O:72])([O-:73])[O-:74].[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([Br:32])[c:9]([O:12][CH:13]([CH2:14][OH:15])[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]3)[cH:20][cH:21]2)[cH:10][cH:11]1)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41].[Cs+:75].[Cs+:76].[Pd+2:81]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:10][cH:11]1)[O:12][CH:13]([c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][c:24]3[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]3)[cH:20][cH:21]1)[CH2:14][O:15]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41]