HRID152802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6276

1-Pentanol

C5H12O

HCID19733

5-Isoindolinesulfonamide, 6-chloro-1,3-dioxo-

C8H5ClN2O4S

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

PRODUCTS

生成物

结构：NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O

HCID13370601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27df00bd97d84e99befe9fff15956657
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:31]([OH:32])[CH2:33][CH2:34][CH2:35][CH3:36].[CH2:37]([OH:38])[CH3:39].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:11][c:12]1[S:13]([NH2:14])(=[O:15])=[O:16])[C:6](=[O:7])[NH:8][C:9]2=[O:10].[NH2:17][CH:18]1[CH2:19][CH2:20][N:21]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:22][CH2:23]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:11][c:12]1[S:13]([NH2:14])(=[O:15])=[O:16])[C:6](=[O:7])[N:8]([CH:18]1[CH2:19][CH2:20][N:21]([CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:22][CH2:23]1)[C:9]2=[O:10]