HRID175772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID68545636

未命名化合物

HCID86634310

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)sc1C(C)C

HCID11853467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ca791eeeb7441688f192ad03513fe75
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

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