HRID307967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID11823

2-Naphthylamine, 1-nitro-

C10H8N2O2

HCID19660

Carbonate

CO3-2

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID104967

Cesium(1+)

Cs+

2 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

PRODUCTS

生成物

结构：N#Cc1cccc(Nc2ccc3ccccc3c2[N+](=O)[O-])c1

HCID67994323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31bfcdff5cf6467aa3507733f7c1cfbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]1.[C:24](=[O:25])([O-:26])[O-:27].[C:76](=[O:77])([OH:78])[O-:79].[Cs+:28].[Cs+:29].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:14])[cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[Na+:80].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:14][c:16]2[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]2)[cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12