HRID293445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID108679

1-Naphthalenecarbonyl chloride, 2-ethoxy-

C13H11ClO2

HCID166653

Hydride

H-

HCID11999024

4-(3,4-Dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

C15H14N2O2

PRODUCTS

生成物

结构：CCOc1ccc2ccccc2c1C(=O)n1ccc2c(-c3ccc(OC)c(OC)c3)ccnc21

HCID57891669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c42b1cd10cd4906acba31dd6cd4da20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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