HRID940975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCO)c(C(F)(F)F)c3)cc21

HCID57657546

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCOS(C)(=O)=O)c(C(F)(F)F)c3)cc21

HCID57657560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e803feff47764de0bf7e33e2a1b51b76
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[OH2:41].[OH:6][CH2:7][CH2:8][O:9][c:10]1[c:11]([C:28]([F:29])([F:30])[F:31])[cH:12][c:13](-[c:16]2[cH:17][c:18]3[c:19]([c:20]([C:22]#[N:23])[n:21]2)[n:24][cH:25][n:26]3[CH3:27])[cH:14][cH:15]1>>[CH3:1][S:2](=[O:4])(=[O:5])[O:6][CH2:7][CH2:8][O:9][c:10]1[c:11]([C:28]([F:29])([F:30])[F:31])[cH:12][c:13](-[c:16]2[cH:17][c:18]3[c:19]([c:20]([C:22]#[N:23])[n:21]2)[n:24][cH:25][n:26]3[CH3:27])[cH:14][cH:15]1