HRID1120957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID140389

N,N-Dimethyl p-bromobenzamide

C9H10BrNO

HCID25067323

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4

PRODUCTS

生成物

结构：COC(=O)c1cc(Oc2ccc(C(=O)N(C)C)cc2)c2c(c1)OC(C)(C)C2

HCID59560090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-674ba0847f3e4643b3efadaacdcb4fb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH3:10])[cH:11][cH:12]1.[CH3:13][O:14][C:15](=[O:16])[c:17]1[cH:18][c:19]2[c:20]([c:26]([OH:28])[cH:27]1)[CH2:21][C:22]([CH3:24])([CH3:25])[O:23]2.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[K+:34].[K+:35].[K+:36].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd+2:44]>>[c:2]1([O:28][c:26]2[c:20]3[c:19]([cH:18][c:17]([C:15]([O:14][CH3:13])=[O:16])[cH:27]2)[O:23][C:22]([CH3:24])([CH3:25])[CH2:21]3)[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH3:10])[cH:11][cH:12]1