HRID195647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID76300

Ethyl 4-bromobutyrate

C6H11BrO2

结构：CCc1c(B2OC(C)(C)C(C)(C)O2)cccc1C1CCNCC1

HCID58494122

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCN1CCC(c2cccc(B3OC(C)(C)C(C)(C)O3)c2CC)CC1

HCID58494167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a25f772aff594d5c85871a08dee37d70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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