HRID2127830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：CCOC1CCN(C(=O)c2cc(CC(=O)c3c(C)[nH]c(C)c3C(=O)OC)ccc2F)CC1

HCID57791805

未命名化合物

PRODUCTS

生成物

结构：CCOC1CCN(C(=O)c2cc(CC(=O)c3c(C(=O)OC)c(C)n(C)c3C)ccc2F)CC1

HCID57791827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1717d19bc95844ecbbbccaccbf9b63e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[O-:38].[CH2:3]([CH3:4])[O:5][CH:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH2:21][C:22](=[O:23])[c:24]3[c:25]([C:31](=[O:32])[O:33][CH3:34])[c:26]([CH3:30])[nH:27][c:28]3[CH3:29])[cH:17][cH:18][c:19]2[F:20])[CH2:10][CH2:11]1.[I:1][CH3:2].[K+:39].[K+:40].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:41]>>[CH2:3]([CH3:4])[O:5][CH:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH2:21][C:22](=[O:23])[c:24]3[c:25]([C:31](=[O:32])[O:33][CH3:34])[c:26]([CH3:30])[n:27]([CH3:35])[c:28]3[CH3:29])[cH:17][cH:18][c:19]2[F:20])[CH2:10][CH2:11]1