HRID1149345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID8471

Triethylamine

C6H15N

结构：C=CCCOC(C(=O)OCC)C(O)c1cc(C)c(OCCc2nc(-c3ccccc3)oc2C)c(C)c1

HCID69556524

未命名化合物

PRODUCTS

生成物

结构：C=CCCOC(C(=O)OCC)C(OS(C)(=O)=O)c1cc(C)c(OCCc2nc(-c3ccccc3)oc2C)c(C)c1

HCID86587478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b406480b297e461eb475f43349fca394
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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