HRID2332902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID11723

未命名化合物

HCID24386

Thionyl chloride

Cl2OS

HCID24638

Chlorosulfuric acid

HClO3S

HCID1514160

1,3-dimethoxypropan-2-amine

C5H13NO2

HCID22273480

未命名化合物

PRODUCTS

生成物

结构：COCC(COC)NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C)n2)cc1

HCID69313086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dda6ba90c6834d55917dcd9ba053ed9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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