HRID2340646

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：COc1cc(C#N)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Br)ccc32)C1c1cccc(Cl)c1F

HCID75985452

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(N)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Br)ccc32)C1c1cccc(Cl)c1F

HCID75985453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89940d243a27448fadf7d1fd8d596ae0
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][c:5]([O:40][CH3:41])[c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:32]3[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[C:14]3([C:15](=[O:24])[NH:16][c:17]4[cH:18][c:19]([Br:23])[cH:20][cH:21][c:22]43)[CH:25]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[NH:26]2)[cH:7][cH:8]1.[CH3:46][S:47]([CH3:48])=[O:49].[Na+:45].[OH-:44].[OH:42][OH:43]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([O:40][CH3:41])[c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:32]3[c:33]([F:39])[c:34]([Cl:38])[cH:35][cH:36][cH:37]3)[C:14]3([C:15](=[O:24])[NH:16][c:17]4[cH:18][c:19]([Br:23])[cH:20][cH:21][c:22]43)[CH:25]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[NH:26]2)[cH:7][cH:8]1)=[O:42]