HRID1536945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID6344

Dichloromethane

CH2Cl2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID24648

Sulfuryl chloride

Cl2O2S

结构：CC(C)(C)CC1NC(C(=O)NCCCN)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID75095855

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)NCCCNS(C)(=O)=O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID72243932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8df203a564d4719be8536041def40c8
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

[CH3:40][N:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][n:47]1)[CH3:48].[CH4:39].[Cl:49][CH2:50][Cl:51].[NH2:1][CH2:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[CH:8]1[NH:9][CH:10]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:11]([C:20]#[N:21])([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:12]1[c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1.[S:34](=[O:35])(=[O:36])([Cl:37])[Cl:38]>>[NH:1]([CH2:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[CH:8]1[NH:9][CH:10]([CH2:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:11]([C:20]#[N:21])([c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH:12]1[c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1)[S:34](=[O:35])(=[O:36])[CH3:40]