HRID1535778

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)s2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76741086

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C(N)=O)s2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76741095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ef11ce1c6764deca6866be3b9c85b36
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][cH:5][c:6]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([c:31]3[c:32]([F:38])[c:33]([Cl:37])[cH:34][cH:35][cH:36]3)[C:13]3([C:14](=[O:23])[NH:15][c:16]4[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]43)[CH:24]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:25]2)[s:7]1.[CH3:43][S:44]([CH3:45])=[O:46].[Na+:42].[OH-:41].[OH:39][OH:40]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6]([NH:8][C:9](=[O:10])[CH:11]2[CH:12]([c:31]3[c:32]([F:38])[c:33]([Cl:37])[cH:34][cH:35][cH:36]3)[C:13]3([C:14](=[O:23])[NH:15][c:16]4[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]43)[CH:24]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:25]2)[s:7]1)=[O:39]