HRID151177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID11894

Benzoic acid, 2-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID178507316

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1Nc1cc(C2CNC(=O)C2)ccc1Cl

HCID77180741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b666ec251c2e4c27bda401a7e700323c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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