HRID1119200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

结构：N#Cc1c2c(c[nH]c1=O)S(=O)c1cc([N+](=O)[O-])ccc1N2

HCID23341994

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c2c(c[nH]c1=O)Sc1cc([N+](=O)[O-])ccc1N2

HCID23341995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85332317437944b7addcf5961beb3e30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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