HRID170001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6324

Ethane

C2H6

HCID8471

Triethylamine

C6H15N

HCID24638

Chlorosulfuric acid

HClO3S

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc(CCNC(=O)C(N)C(C)C)ccc1OCC=Cc1ccc(Cl)cc1

HCID69823027

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCC=Cc2ccc(Cl)cc2)c(OC)c1)C(C)C

HCID69823218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11221b85616c40f5886406e3866ad4f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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