HRID1226674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：CC(C)(C)OC(=O)N1CC(Oc2cc(Br)ccc2C=O)C1

HCID86657048

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1ccc(C=O)c(OC2CN(C(=O)OC(C)(C)C)C2)c1

HCID86657047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46ea755c9ef94ed69f1a10a5bf0336d9
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([CH:20]=[O:21])[cH:15][cH:16][c:17]([Br:19])[cH:18]2)[CH2:11]1.[CH3:22][c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[K+:37].[K+:38].[K+:39].[P:32]([O-:33])([O-:34])([O-:35])=[O:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:12][c:13]2[c:14]([CH:20]=[O:21])[cH:15][cH:16][c:17](-[c:24]3[c:23]([CH3:22])[cH:28][cH:27][cH:26][cH:25]3)[cH:18]2)[CH2:11]1