HRID2341812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C#N)cc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)c(F)cc12

HCID75986017

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C(N)=O)cc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)c(F)cc12

HCID75986018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ec77887269840df9687b20de8e33cd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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