HRID1551095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

2 次

HCID976808

未命名化合物

HCID68467119

1,1-Dimethylethyl 3-cyano-4-fluoro-α-methylbenzeneacetate

C14H16FNO2

PRODUCTS

生成物

结构：CC(C(=O)OC(C)(C)C)c1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C#N)c1

HCID68466209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-387b4d8adec04bfeaa80b8ca77e9a992
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH3:18])[cH:6][cH:7][c:8]1[F:9].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[NH:25][c:26]2[cH:27][cH:28][c:29]([OH:32])[cH:30][cH:31]2)[cH:33][cH:34][c:35]1[Cl:36].[K+:37].[K+:38].[Na+:53].[Na+:54].[O-:39][C:40]([O-:41])=[O:42].[O-:55][C:56](=[O:57])[O-:58]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH3:18])[cH:6][cH:7][c:8]1[O:32][c:29]1[cH:28][cH:27][c:26]([NH:25][C:23]([c:22]2[cH:21][c:20]([Cl:19])[c:35]([Cl:36])[cH:34][cH:33]2)=[O:24])[cH:31][cH:30]1