HRID1564465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8018

2-Methoxyethylamine

C3H9NO

HCID12022

Ethanamine, N-ethyl-N-methyl-

C5H13N

HCID24386

Thionyl chloride

Cl2OS

HCID24638

Chlorosulfuric acid

HClO3S

结构：CC(C)n1c(-c2ccnc(Nc3ccccc3)n2)cnc1C=O

HCID11638102

未命名化合物

PRODUCTS

生成物

结构：COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C=O)n3C(C)C)n2)cc1

HCID86610790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a01470821bd40af90e6bc0e5cc48874
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

[CH2:34]([N:35]([CH2:36][CH3:37])[CH3:38])[CH3:39].[CH3:29][O:30][CH2:31][CH2:32][NH2:33].[CH3:44][OH:45].[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:27]=[O:28])[n:23]2[CH:24]([CH3:25])[CH3:26])[n:18]1.[S:40]([Cl:41])([Cl:42])=[O:43]>>[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:27]=[O:28])[n:23]3[CH:24]([CH3:25])[CH3:26])[n:18]2)[cH:12][cH:11]1)[NH:33][CH2:32][CH2:31][O:30][CH3:29]