HRID86628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11504

4-Ethylaniline

C8H11N

结构：Cc1ccc(S(=O)(=O)N2CCC(N)(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1

HCID50913226

未命名化合物

结构：Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC2)cc1

HCID66921307

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

HCID66921364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0521a1a9efe643fcba425de2427c4d1d
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[C:14]2([NH2:30])[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[CH2:18][CH2:19]2)[cH:9][cH:10]1.[C:32]([O:33][C:34]([NH:35][C:36]1([C:37]([OH:38])=[O:39])[CH2:40][CH2:41][N:42]([S:43]([c:44]2[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]2)(=[O:51])=[O:52])[CH2:53][CH2:54]1)=[O:55])([CH3:56])([CH3:57])[CH3:58].[CH2:59]([c:60]1[cH:61][cH:62][c:63]([NH2:64])[cH:65][cH:66]1)[CH3:67].[ClH:31]>>[CH2:1]([CH3:2])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[C:14]2([NH2:30])[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[CH2:18][CH2:19]2)[cH:9][cH:10]1