HRID1545900

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

HCID19660

Carbonate

CO3-2

HCID2775189

1,1,1-Trifluoro-4-iodobutane

C4H6F3I

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

HCID11582687

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCCCC(F)(F)F)c1

HCID67273716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-706c69b467c54898acaee447b335a759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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