HRID1223772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7761

Diethyl propanedioate

C7H12O4

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：Cc1cc(CBr)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID22036009

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C)c1)C(=O)OCC

HCID69650278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73a152f7828b42cbbf61b68779ab6307
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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