HRID1139506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2736845

Methyl 5-(Chlorosulfonyl)-2-Furoate

C6H5ClO5S

结构：CC(C)(C)c1cc(SC2CCNCC2)cc(C(C)(C)C)c1O

HCID86635428

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)o1

HCID86635433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1900c96dab64931aa43af34db523e56
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

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