HRID116609

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-

HCID962

Water

H2O

HCID7505

Benzonitrile

C7H5N

结构：CCN(CC)CCc1cccc(Nc2ncc3c(n2)N(c2cccc(C#N)c2)C(=O)N(c2ccc(OC)cc2)C3C)c1

HCID10076529

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCc1cccc(Nc2ncc3c(n2)N(c2cccc(C(N)=O)c2)C(=O)N(c2ccc(OC)cc2)C3C)c1

HCID11757931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffb7b7c2344d419db2d8afc274e4edfb
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

[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([NH:12][c:13]2[n:14][cH:15][c:16]3[c:17]([n:18]2)[N:19]([c:33]2[cH:34][c:35]([C:36]#[N:37])[cH:38][cH:39][cH:40]2)[C:20](=[O:32])[N:21]([c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:22]3[CH3:23])[cH:9][cH:10][cH:11]1)[CH2:41][CH3:42].[CH3:55][S:56](=[O:57])[CH3:58].[N:45]#[C:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:44].[OH-:43].[OH2:59].[OH:53][OH:54]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([NH:12][c:13]2[n:14][cH:15][c:16]3[c:17]([n:18]2)[N:19]([c:33]2[cH:34][c:35]([C:36]([NH2:37])=[O:43])[cH:38][cH:39][cH:40]2)[C:20](=[O:32])[N:21]([c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:22]3[CH3:23])[cH:9][cH:10][cH:11]1)[CH2:41][CH3:42]