HRID205073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID17652

2,4-Dimethoxyaniline

C8H11NO2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2326127

DIMETHYL 3-IODOPHTHALATE

C10H9IO4

PRODUCTS

生成物

结构：COC(=O)c1cccc(Nc2ccc(OC)cc2OC)c1C(=O)OC

HCID58307245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b37051cd975c40e6a28755cb19e7e1b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH3:16][O:17][c:18]1[c:19]([NH2:20])[cH:21][cH:22][c:23]([O:25][CH3:26])[cH:24]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([I:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:40][CH2:41][Cl:42].[Cs+:31].[Cs+:32].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:20][c:19]2[c:18]([O:17][CH3:16])[cH:24][c:23]([O:25][CH3:26])[cH:22][cH:21]2)[cH:11][cH:12][cH:13]1)=[O:15]