HRID215368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

反应SMILES：COc1cc2c(cc1O)CN(CCCCCC(C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)CC2

HCID10721301

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(C#N)(CCCCCN2CCc3cc(OC)c(OCCN(C)C)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID10770129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-decd2a301a0f4ae39026fc537b445664
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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