HRID96387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7842

Propargyl bromide

C3H3Br

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C1CNCC1NC(=O)c1ccc(Cc2cc(C)nc3ccccc23)cc1

HCID178498765

未命名化合物

PRODUCTS

生成物

结构：C#CCN1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C(C(=O)OC)C1

HCID178456362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a981fea74604de7b9af154565ae85f1
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

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