HRID92138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(NC4CCOCC4)c3)c2C1

HCID66952969

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCOCC4)c3)c2C1

HCID11854440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca7c0b6e3c644868a1ac2350674debc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:40]([OH:41])[CH3:42].[CH3:1][C:2]1([CH3:31])[CH2:3][C:4](=[O:30])[c:5]2[c:6]([C:26]([F:27])([F:28])[F:29])[n:7][n:8](-[c:11]3[cH:12][c:13]([NH:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:14]([C:15]#[N:16])[cH:17][cH:18]3)[c:9]2[CH2:10]1.[CH3:36][S:37]([CH3:38])=[O:39].[Na+:33].[OH-:32].[OH2:43].[OH:34][OH:35]>>[CH3:1][C:2]1([CH3:31])[CH2:3][C:4](=[O:30])[c:5]2[c:6]([C:26]([F:27])([F:28])[F:29])[n:7][n:8](-[c:11]3[cH:12][c:13]([NH:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:14]([C:15]([NH2:16])=[O:32])[cH:17][cH:18]3)[c:9]2[CH2:10]1