HRID122496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID2760966

2-tert-Butyl-1H-indol-5-amine

C12H16N2

HCID14349608

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

C11H10O4

PRODUCTS

生成物

结构：CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1

HCID24762903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4cb0c0de25b4d3b9de041dd73b52b45
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

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