HRID2131717

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(Cl)c(F)cc32)C1c1cccc(Cl)c1F

HCID75986555

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(Cl)c(F)cc32)C1c1cccc(Cl)c1F

HCID75986556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7f72a6eb86649178a9661bd73ce165a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:41][CH3:42])[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.[CH3:47][S:48]([CH3:49])=[O:50].[Na+:46].[OH-:45].[OH:43][OH:44]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([O:41][CH3:42])[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:43]