HRID679089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID14349608

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

C11H10O4

结构：Cc1nc(N)sc1C(NS(=O)C(C)(C)C)c1ccccc1Cl

HCID76672767

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)sc1C(NS(=O)C(C)(C)C)c1ccccc1Cl

HCID76672734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1119a3f5399b4481b6fc46fe57b3a5d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[NH2:20][c:21]1[s:22][c:23]([CH:27]([NH:28][S:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[c:35]2[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]2)[c:24]([CH3:26])[n:25]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.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[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:20][c:21]3[s:22][c:23]([CH:27]([NH:28][S:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[c:35]4[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]4)[c:24]([CH3:26])[n:25]3)[CH2:11][CH2:12]1)[cH:9]2