HRID835241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COC(=O)C1=Cc2cc(Br)ccc2N(C(=O)OC(C)(C)C)CC1

HCID22329270

未命名化合物

HCID86756777

未命名化合物

PRODUCTS

生成物

结构：CCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3C(=O)OC(C)(C)C)cc1

HCID22328959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205cc2f6cb244c54b60641d0ef49816d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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