HRID1231578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：COC(=O)CC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1

HCID22995529

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(C)(CCCN1CCC(N(C)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1

HCID22995623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35f10fd2ca864fdb9082d05cc93f2d29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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