HRID208935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID12335

Pentane, 1-iodo-

C5H11I

HCID19660

Carbonate

CO3-2

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2O)c1

HCID67273049

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCCCCC)c1

HCID67272943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b13f55311836475ca2c49e3fb67c7d7b
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

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