HRID141412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)n1ncc2c(NC(=O)ON3C(=O)CCC3=O)cccc21

HCID11313556

未命名化合物

HCID67187432

未命名化合物

PRODUCTS

生成物

结构：COCC(C)(C)c1ccc2c(c1)CCC2NC(=O)Nc1cccc2c1cnn2C(=O)OC

HCID67188103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9540242572414202a7c917a5cbfb02be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[n:5]1[n:6][cH:7][c:8]2[c:9]([NH:14][C:15]([O:17][N:16]3[C:18](=[O:19])[CH2:20][CH2:21][C:22]3=[O:23])=[O:24])[cH:10][cH:11][cH:12][c:13]12.[CH3:25][O:26][CH2:27][C:28]([CH3:29])([CH3:30])[c:31]1[cH:32][c:33]2[c:37]([cH:38][cH:39]1)[CH:36]([NH2:40])[CH2:35][CH2:34]2.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[CH3:1][O:2][C:3](=[O:4])[n:5]1[n:6][cH:7][c:8]2[c:9]([NH:14][C:15](=[O:17])[NH:40][CH:36]3[CH2:35][CH2:34][c:33]4[cH:32][c:31]([C:28]([CH2:27][O:26][CH3:25])([CH3:29])[CH3:30])[cH:39][cH:38][c:37]43)[cH:10][cH:11][cH:12][c:13]12