HRID673313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6561

2-Methylpropanal

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID178498765

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(CC(C)C)CC1NC(=O)c1ccc(Cc2cc(C)nc3ccccc23)cc1

HCID178498798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-268ea0522bfe45a3b7897ca0b5a80b8a
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

[CH3:1][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.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[CH:40]([CH:41]([CH3:42])[CH3:43])=[O:44].[Cl:45][CH2:46][Cl:47]>>[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][CH:41]([CH3:42])[CH3:43])[CH2:24]3)[cH:29][cH:30]2)[cH:11]1