HRID662964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID21701395

未命名化合物

结构：CC1=NC(NC(=O)OCc2ccccc2)C(=O)Nc2c1cccc2N(C)C

HCID135798758

未命名化合物

PRODUCTS

生成物

结构：CC1=NC(NC(=O)OCc2ccccc2)C(=O)N(CC(=O)N2CC3CCC(CC3)C2)c2c1cccc2N(C)C

HCID70124020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c88472b7d8514cd6aadb388bfb4ecbab
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

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