HRID2140549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23398394

Methyl (5-bromopyridin-3-yl)acetate

C8H8BrNO2

结构：CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708969

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57709029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97a6f3c8ad6142dc9dfaae09fc623146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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