HRID198682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID59224848

未命名化合物

HCID59478030

4-[2-(Benzyloxy)phenyl]-1H-pyrrole-3-carbonitrile

C18H14N2O

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-n2cc(C#N)c(-c3ccccc3OCc3ccccc3)c2)cc1OCOC

HCID59477635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-916b52620412417481cb94d0683cf837
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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