HRID215005

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

HCID166653

Hydride

H-

HCID12243711

3-(CHLOROMETHYL)-2-METHYLPYRIDINE

C7H8ClN

结构：CCOC(=O)CCc1cn(Cc2ccc3cc(O)ccc3c2)cc1-c1ccccc1

HCID23024949

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1cn(Cc2ccc3cc(OCc4cccnc4C)ccc3c2)cc1-c1ccccc1

HCID69423045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-402cc46168d64892b3a7a081b280170d
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

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