HRID2323703

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)nc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76741127

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)Nc2ccc(C(N)=O)nc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76741092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cb76407742e4c64b31f740c7ce48f9f
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: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]([Cl: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][n:8]1.[CH3:44][S:45]([CH3:46])=[O:47].[Na+:43].[OH-:42].[OH:40][OH:41]>>[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: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]([Cl: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][n:8]1)=[O:40]