HRID114379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：CC(C)(C)N1C(=O)C(NCCO)=C(c2ccccc2)S1(=O)=O

HCID67243986

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID86625867

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID86625866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3726008a5875435b9464edc934d30d8f
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

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