HRID213329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1

HCID2758716

1-benzhydrylazetidin-3-yl methanesulfonate

C17H19NO3S

HCID178438045

未命名化合物

PRODUCTS

生成物

结构：CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CN(C(c2ccccc2)c2ccccc2)C1

HCID11647119

1-[1-(Diphenylmethyl)-3-azetidinyl]-5-ethyl-4-nitro-1H-pyrazole-3-carboxamide

C22H23N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9503caa39bd46e48dfa291e3b7c8a72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH2:23]([CH3:24])[c:25]1[n:26][nH:27][c:28]([C:33](=[O:34])[NH2:35])[c:29]1[N+:30](=[O:31])[O-:32].[CH3:1][S:2]([O:3][CH:6]1[CH2:7][N:8]([CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:9]1)(=[O:4])=[O:5].[CH3:42][C:43]#[N:44].[Cs+:40].[Cs+:41]>>[CH:6]1([n:26]2[c:25]([CH2:23][CH3:24])[c:29]([N+:30](=[O:31])[O-:32])[c:28]([C:33](=[O:34])[NH2:35])[n:27]2)[CH2:7][N:8]([CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:9]1