HRID675809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(O)c(OC(F)(F)F)c2)C2(O)CCCCC2)CC1

HCID68855865

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C2(O)CCCCC2)cc1OC(F)(F)F

HCID68855506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01845b3a0d844d189e31a3a4ee09e496
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[O-:41].[I:36][CH3:37].[K+:42].[K+:43].[OH2:44].[OH:1][C:2]1([CH:8]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[c:24]2[cH:25][c:26]([O:31][C:32]([F:33])([F:34])[F:35])[c:27]([OH:30])[cH:28][cH:29]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[OH:1][C:2]1([CH:8]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[c:24]2[cH:25][c:26]([O:31][C:32]([F:33])([F:34])[F:35])[c:27]([O:30][CH3:38])[cH:28][cH:29]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1