HRID1134994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID45925946

未命名化合物

HCID60628097

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(C#N)c1

HCID68467179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b542a08d7a946cea84bc76e602b753f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:6][cH:7][c:8]1[F:9].[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][CH2:24][NH:25][C:26]([c:27]2[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]2)=[O:34])[cH:35][cH:36]1.[K+:41].[K+:42]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:6][cH:7][c:8]1[O:33][c:30]1[cH:29][cH:28][c:27]([C:26]([NH:25][CH2:24][CH2:23][c:22]2[cH:21][cH:20][c:19]([Cl:18])[cH:36][cH:35]2)=[O:34])[cH:32][cH:31]1