HRID94822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID104454

Ethyl 2-aminothiazol-4-acetate

C7H10N2O2S

HCID130500

未命名化合物

结构：O=C(O)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1

HCID11737121

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc([N+](=O)[O-])cc2)n1

HCID9954452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ef869062b9147f0b6d6f159bf0791c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:44]([CH3:45])[O:46][C:47]([CH2:48][c:49]1[n:50][c:51]([NH2:54])[s:52][cH:53]1)=[O:55].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:65].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:54][c:51]2[n:50][c:49]([CH2:48][C:47]([O:46][CH2:44][CH3:45])=[O:55])[cH:53][s:52]2)[c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1