HRID289623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(OS(=O)(=O)C(F)(F)F)ccc2cc(O)ccc12

HCID11584459

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11628623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc38305fc37e4f5cbec92a35dc259b98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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