HRID2125853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：COc1cc(COc2ncccc2C#N)ccc1OCc1nc(-c2ccccc2)oc1C

HCID68883552

2-[3-Methoxy-4-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]benzyloxy]nicotinonitrile

C25H21N3O4

PRODUCTS

生成物

结构：COc1cc(COc2ncccc2C=O)ccc1OCc1nc(-c2ccccc2)oc1C

HCID86591563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa38357c232e48aba47b453273d5e922
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:41]([Al+:42][CH2:43][CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][c:18]1[O:19][CH2:20][c:21]1[n:22][c:23](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[o:24][c:25]1[CH3:26].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[Cl-:50].[H-:40].[NH4+:51]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([CH:10]=[O:54])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17][c:18]1[O:19][CH2:20][c:21]1[n:22][c:23](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[o:24][c:25]1[CH3:26]