HRID94052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：CC(O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21

HCID70504145

未命名化合物

PRODUCTS

生成物

结构：CC(OS(=O)(=O)c1ccc(C)cc1)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21

HCID86735546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-848ffac2109a49a180690328f078b691
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

[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9]1=[N:10][CH:11]2[C:12](=[O:33])[N:13]([C:16]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]3)=[C:30]([CH3:31])[OH:32])[CH:14]2[S:15]1.[OH2:45].[c:34]1([CH3:44])[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9]1=[N:10][CH:11]2[C:12](=[O:33])[N:13]([C:16]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]3)=[C:30]([CH3:31])[O:32][S:40]([c:37]3[cH:36][cH:35][c:34]([CH3:44])[cH:39][cH:38]3)(=[O:41])=[O:42])[CH:14]2[S:15]1