HRID2160223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：O=C(Nc1ccc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

HCID67040084

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

HCID86615543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e916318a8883497f8b16162db5971dce
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

[CH2:49]([Cl:50])[Cl:51].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:38][C:39]([C:40]([Cl:41])=[O:42])=[O:43].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][cH:21][c:22]([S:25][c:26]3[c:27]([N+:35](=[O:36])[O-:37])[cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]3)[cH:23][cH:24]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][cH:21][c:22]([S:25][c:26]3[c:27]([N+:35](=[O:36])[O-:37])[cH:28][c:29]([C:30](=[O:31])[Cl:38])[cH:33][cH:34]3)[cH:23][cH:24]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1