HRID304919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)COC(C)(C(F)(F)F)C(NC(=O)OC(C)(C)C)=N2)c1

HCID178426500

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C)COC(C)(C(F)(F)F)C(N)=N2)c1

HCID71140931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-574cf47696fb453a94a847374a91981b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[c:16]([F:33])[cH:17][cH:18][c:19]([NH:21][C:22](=[O:23])[c:24]3[n:25][cH:26][c:27]([C:31]#[N:32])[cH:28][c:29]3[CH3:30])[cH:20]2)[CH2:11][O:10][C:9]1([C:34]([F:35])([F:36])[F:37])[CH3:38])([CH3:5])([CH3:6])[CH3:39].[Cl:52][CH2:53][Cl:54].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46].[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[NH2:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[c:16]([F:33])[cH:17][cH:18][c:19]([NH:21][C:22](=[O:23])[c:24]3[n:25][cH:26][c:27]([C:31]#[N:32])[cH:28][c:29]3[CH3:30])[cH:20]2)[CH2:11][O:10][C:9]1([C:34]([F:35])([F:36])[F:37])[CH3:38]