HRID1564417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID943

Nitrate

NO3-

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID104755

Silver ion (1+)

Ag+

结构：O=Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID16004876

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID57799417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-655085b91c0c4ac3b3325e21e99e9d16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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