HRID93722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

HCID14349608

1-(2H-1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C11H10O4

HCID57456943

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1)c1ccccc1Cl

HCID58609757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-045849de6d2f4e4ebe47dc1d930833e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[NH2:27][c:28]1[s:29][c:30]([C:33](=[O:34])[c:35]2[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]2)[cH:31][n:32]1.[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]1)[cH:9]2.[S:16]([Cl:17])([Cl:18])=[O:19]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:15])[NH:27][c:28]3[s:29][c:30]([C:33](=[O:34])[c:35]4[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]4)[cH:31][n:32]3)[CH2:11][CH2:12]1)[cH:9]2