HRID802563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Nc4cccc(CCO)c4)ncc3C2C)cc1

HCID9870839

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2C(=O)N(c3cccc(C#N)c3)c3nc(Nc4cccc(CCOS(C)(=O)=O)c4)ncc3C2C)cc1

HCID10325979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10d3cf73178b4a95bbce3e652a7062cf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:52][S:53]([Cl:54])(=[O:55])=[O:56].[CH4:51].[Cl:57][CH2:58][Cl:59].[OH:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([NH:10][c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[N:17]([c:31]2[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]2)[C:18](=[O:30])[N:19]([c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:20]3[CH3:21])[cH:7][cH:8][cH:9]1.[S:46]([Cl:47])([Cl:48])(=[O:49])=[O:50]>>[O:1]([CH2:2][CH2:3][c:4]1[cH:5][c:6]([NH:10][c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[N:17]([c:31]2[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]2)[C:18](=[O:30])[N:19]([c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[CH:20]3[CH3:21])[cH:7][cH:8][cH:9]1)[S:53]([CH3:52])(=[O:55])=[O:56]