HRID109277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID84151

[1,1'-Biphenyl]-4-carbonyl chloride

C13H9ClO

结构：CCCCc1ccc(C#Cc2ccc(CNc3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

HCID11476168

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

HCID57841342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-596c267506ec40a8a6d8ebbe01ec8f5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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