HRID670653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID94888

N,N'-Diphenylformamidine

C13H12N2

HCID5032155

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CC1(C)C(C=CNc2ccccc2)=[N+](CCCCCC(=O)O)c2ccccc21

HCID70002393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-064c991cc1374310923a0685be8a910b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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