HRID211186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14349608

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

C11H10O4

结构：CC(C)(C)S(=O)NC(c1cnc(N)s1)c1ccc(F)cc1Cl

HCID76672737

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)S(=O)NC(c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1)c1ccc(F)cc1Cl

HCID72554034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-864a45c7d1714534a7d8a8e97d92612e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl-:16].[Cl:46][CH2:47][Cl:48].[NH2:17][c:18]1[s:19][c:20]([CH:23]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]2[c:32]([Cl:38])[cH:33][c:34]([F:37])[cH:35][cH:36]2)[cH:21][n:22]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:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[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:17][c:18]3[s:19][c:20]([CH:23]([NH:24][S:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]4[c:32]([Cl:38])[cH:33][c:34]([F:37])[cH:35][cH:36]4)[cH:21][n:22]3)[CH2:11][CH2:12]1)[cH:9]2