HRID110485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID70639

3-Methylxanthine

C6H6N4O2

HCID9839651

4-(4-chlorobenzoyl)benzyl bromide

C14H10BrClO

PRODUCTS

生成物

结构：Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

HCID18918801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f75398e190fa46e5bb8f80156038bdbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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