HRID685690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C(C)(C)C)[nH]c3cc(N)ccc23)cc1

HCID67158974

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C(C)(C)C)[nH]c3cc(NS(C)(=O)=O)ccc23)cc1

HCID67158566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0313816d2e1743318fb17417cfa52add
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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