HRID213425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6328

Methyl iodide

CH3I

结构：CCOC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)ccc(F)c12

HCID59146114

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(C)c2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)ccc(F)c12

HCID59146068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46dcb331df8e426c93ff1e3236cbd4ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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