HRID2127514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

结构：O=[N+]([O-])c1cc(-c2nn[nH]n2)cc(OCc2ccccc2)c1OCc1ccccc1

HCID67037054

5-[3,4-Bis(benzyloxy)-5-nitrophenyl]-2H-tetrazole

C21H17N5O4

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(-c2nnn(-c3ccc(C(F)(F)F)cn3)n2)cc(OCc2ccccc2)c1OCc1ccccc1

HCID68705633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3f850a95c3c4253a42e698d9929f9ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[cH:21][c:22](-[c:37]2[n:38][n:39][nH:40][n:41]2)[cH:23][c:24]([N+:34](=[O:35])[O-:36])[c:25]1[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[Cl:51][CH2:52][Cl:53].[K+:46].[K+:47]>>[c:2]1(-[n:40]2[n:39][n:38][c:37](-[c:22]3[cH:21][c:20]([O:19][CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[c:25]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:24]([N+:34](=[O:35])[O-:36])[cH:23]3)[n:41]2)[n:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1