HRID1538034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID166653

Hydride

H-

结构：CC(NC(=O)c1cc(Cl)ccc1NC(=O)C1CC(O)=NN1c1ncccc1Cl)C1CC1

HCID178464833

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OC2=NN(c3ncccc3Cl)C(C(=O)Nc3ccc(Cl)cc3C(=O)NC(C)C3CC3)C2)cc1

HCID86639906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-529e96067f644975adaf0f341de9a9c1
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

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