HRID93570

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：CN1CCC(C(=O)OC(C)(C)C)=Cc2cc(Br)ccc21

HCID18472450

未命名化合物

HCID86645333

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)OC(C)(C)C)CCN3C)cc1

HCID18472637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-431442dacee449808339c196d5c83c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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