HRID2148477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

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

HCID57657537

未命名化合物

PRODUCTS

生成物

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

HCID57657542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02d85b827edb4e2ca230552a987f2cc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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