HRID696799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：C=C(C)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID66701698

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1cc(C(=O)N(C)c2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59382273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d39ba828bde40a2b236fe0992d8ec70
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[cH:18][cH:19]2)[cH:27][c:28]([C:39](=[CH2:40])[CH3:41])[c:29]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:30]1.[CH3:44][I:45].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[H-:43].[Na+:42].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[N:13]([c:14]2[cH:15][cH:16][c:17]([CH2:20][N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[cH:18][cH:19]2)[CH3:44])[cH:27][c:28]([C:39](=[CH2:40])[CH3:41])[c:29]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:30]1