HRID319728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID12022

Ethanamine, N-ethyl-N-methyl-

C5H13N

HCID24386

Thionyl chloride

Cl2OS

HCID24638

Chlorosulfuric acid

HClO3S

HCID75645

Cyclobutanamine

C4H9N

HCID11392223

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)n1C

HCID10287950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8bbe8e707024529bf8857034481657a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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