HRID1226718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2734882

4-Isopropylbenzenesulfonyl chloride

C9H11ClO2S

HCID69145945

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)CC1

HCID9843972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-202b0ab457db4391bd5d074e3af9559c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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