HRID2147471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID78786

2-Bromo-6-methoxynaphthalene

C11H9BrO

结构：O=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID618233

1-Tritylimidazole-4-carboxaldehyde

C23H18N2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc2cc(C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

HCID11092260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d4877c6609543b785027846b137f72f
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[cH:10][cH:11]1.[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH:19](=[O:20])[c:21]1[n:22][cH:23][n:24]([C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:25]1.[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[c:2]1([CH:19]([OH:20])[c:21]2[n:22][cH:23][n:24]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:25]2)[cH:3][c:4]2[cH:5][cH:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[cH:10][cH:11]1