HRID183018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID78318

Benzenemethanesulfonamide

C7H9NO2S

结构：CS(=O)(=O)NC1CCCCC1N1C(=O)c2ccccc2C(C(=O)O)C1c1ccc(Cl)cc1Cl

HCID68445921

(3RS,4RS)-3-(2,4-dichlorophenyl)-2-{(1SR,2SR)-2-[(mesyl)amino]cyclohexyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C23H24Cl2N2O5S

PRODUCTS

生成物

结构：CS(=O)(=O)NC1CCCCC1N1C(=O)c2ccccc2C(C(=O)NS(=O)(=O)Cc2ccccc2)C1c1ccc(Cl)cc1Cl

HCID68448149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a614b5959d464de9b9777ac02e07efbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:23]3[CH:24]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[CH2:25][CH2:26][CH2:27][CH2:28]3)[C:11](=[O:22])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[OH:21])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[ClH:45].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[c:34]1([CH2:40][S:41](=[O:42])(=[O:43])[NH2:44])[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:23]3[CH:24]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[CH2:25][CH2:26][CH2:27][CH2:28]3)[C:11](=[O:22])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:44][S:41]([CH2:40][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)(=[O:42])=[O:43])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1