HRID102151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12335

Pentane, 1-iodo-

C5H11I

HCID166653

Hydride

H-

结构：CCCN(C(C)=O)c1ccc(-c2cc(=O)c3c(N)c(F)c(C)c(F)c3o2)cc1F

HCID19434890

未命名化合物

PRODUCTS

生成物

结构：CCCCCNc1c(F)c(C)c(F)c2oc(-c3ccc(N(CCC)C(C)=O)c(F)c3)cc(=O)c12

HCID19435011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d28abb665c5746f799b5c34865d8490c
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

[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH3:7])[c:8]1[c:9]([F:29])[cH:10][c:11](-[c:14]2[o:15][c:16]3[c:17]([c:18](=[O:20])[cH:19]2)[c:21]([NH2:28])[c:22]([F:27])[c:23]([CH3:26])[c:24]3[F:25])[cH:12][cH:13]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[H-:30].[I:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[Na+:31].[OH2:38]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH3:7])[c:8]1[c:9]([F:29])[cH:10][c:11](-[c:14]2[o:15][c:16]3[c:17]([c:18](=[O:20])[cH:19]2)[c:21]([NH:28][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:22]([F:27])[c:23]([CH3:26])[c:24]3[F:25])[cH:12][cH:13]1