HRID1545247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75654

Diphenyl phosphorochloridate

C12H10ClO3P

HCID81531

Diisopropylethylamine

C8H19N

HCID3017625

(4-Nitrophenyl)methyl hydrogen (2-sulfanylethyl)carbonimidate

C10H12N2O4S

结构：CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)CC12

HCID178459901

未命名化合物

PRODUCTS

生成物

结构：CC(C)(OC(=O)OCc1ccc([N+](=O)[O-])cc1)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCNC(=O)OCc3ccc([N+](=O)[O-])cc3)CC12

HCID178459903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d34f2dee6b044188b1f97e55b75337a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:83][N:84]([c:85]1[cH:86][cH:87][n:88][cH:89][cH:90]1)[CH3:91].[CH3:92][C:93]#[N:94].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[N+:66](=[O:67])([O-:68])[c:69]1[cH:70][cH:71][c:72]([CH2:73][O:74][C:75](=[O:76])[NH:77][CH2:78][CH2:79][SH:80])[cH:81][cH:82]1.[O:1]=[C:2]1[CH:3]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[N:4]2[C:5](=[O:26])[CH:6]([C:9]([CH3:10])([O:11][C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[CH3:25])[CH:7]2[CH2:8]1.[P:49]([Cl:50])([O:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([O:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65]>>[C:2]1([S:80][CH2:79][CH2:78][NH:77][C:75]([O:74][CH2:73][c:72]2[cH:71][cH:70][c:69]([N+:66](=[O:67])[O-:68])[cH:82][cH:81]2)=[O:76])=[C:3]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:37](=[O:38])[O-:39])[cH:35][cH:36]2)[N:4]2[C:5](=[O:26])[CH:6]([C:9]([CH3:10])([O:11][C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[CH3:25])[CH:7]2[CH2:8]1