HRID2329550

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：O=C(c1cc(-n2cnnn2)ccc1O)N1CCC(CCO)(c2ccccc2)C1

HCID18465036

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCO)(c2ccccc2)C1

HCID18465004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3888f9d1799449dd8a5f7ef2ba785379
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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