HRID2132583

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-c1ccccc1C(F)(F)F

HCID86642818

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc([N+](=O)[O-])c(Nc3nc(-c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2)CC1

HCID86642819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77e5970653af4026a2ff2aa78328e069
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:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:45][N:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]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[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1.[Cl:52][CH2:53][Cl:54].[Na+:44]>>[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[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[n:14]2)[cH:8]1)[N:49]1[CH2:48][CH2:47][N:46]([CH3:45])[CH2:51][CH2:50]1