HRID1208870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID53167

1-Methylpiperazine

C5H12N2

HCID2724942

未命名化合物

结构：NC(=O)c1sc(Nc2cc(C=O)ccc2[N+](=O)[O-])nc1-c1cccc(C(F)(F)F)c1

HCID86642854

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc([N+](=O)[O-])c(Nc3nc(-c4cccc(C(F)(F)F)c4)c(C(N)=O)s3)c2)CC1

HCID86642855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48e3930dcbae4f6aab414267622ab558
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:31][N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1.[Cl:52][CH2:53][Cl:54].[Na+:51]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([N+:28](=[O:29])[O-:30])[c:7]([NH:9][c:10]2[s:11][c:12]([C:25](=[O:26])[NH2:27])[c:13](-[c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1)[N:35]1[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1