HRID282194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Oc1ccc(Cl)cc1)N1CCc2cc(C#CCCCO)c(F)cc21

HCID69515124

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OCCCC#Cc1cc2c(cc1F)N(C(=O)Oc1ccc(Cl)cc1)CC2

HCID86587013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfb6b4654c4d465b85cb5611207b9d0b
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

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