HRID1217460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID126

p-Hydroxybenzaldehyde

C7H6O2

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

结构：CC(=O)Nc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1

HCID86092823

未命名化合物

PRODUCTS

生成物

HCID86649975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-257076f2ad6a468a8a09d681e81a2047
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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