HRID285915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID57896640

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc2c(c1)N(Cc1ccccc1)C(=O)CO2

HCID57896764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93b8a450444e41888eb574124f133aaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[C:16](=[O:17])([O-:18])[O-:19].[C:59](=[O:60])([OH:61])[O-:62].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[I-:35].[K+:20].[K+:21].[Na+:63].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([n:8][cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[cH:11]2)[O:6][CH2:7]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34]>>[O:1]=[C:2]1[N:3]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:4]2[c:5]([n:8][cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[cH:11]2)[O:6][CH2:7]1