HRID1545890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15458

tert-Butyl acrylate

C7H12O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID19692711

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCCCCCCCOc2ccc(CO)nc2C=CC(=O)OC(C)(C)C)cc1

HCID54231524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b3fc5e10f240b19aa9307ccf021b80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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