HRID99909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14273

2-Pyridinecarboxaldehyde

C6H5NO

HCID425305

STK256619

C13H16NOS+

结构：C=CC(=O)C(CC1CCOCC1)c1ccc(S(C)(=O)=O)cc1

HCID68433769

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)CCC(=O)c2ccccn2)cc1

HCID59331326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44f0e5d1d97241a7ac765f810f2f40eb
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

[CH2:42]([n+:43]1[c:44]([CH3:45])[c:46]([CH2:47][CH2:48][OH:49])[s:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]([CH:13]=[CH2:14])=[O:15])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:9][cH:10]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][CH2:39][OH:40].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:41].[n:23]1[c:24]([CH:29]=[O:30])[cH:25][cH:26][cH:27][cH:28]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]([CH2:13][CH2:14][C:29]([c:24]2[n:23][cH:28][cH:27][cH:26][cH:25]2)=[O:30])=[O:15])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:9][cH:10]1