HRID1240556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2734749

Piperonyloyl chloride

C8H5ClO3

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)c3ccc4c(c3)OCO4)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

HCID57841403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c3eba84b5d14808b9269501f2af3565
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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].[O:35]1[CH2:36][O:37][c:38]2[c:39]1[cH:40][cH:41][c:42]([C:44](=[O:45])[Cl:46])[cH:43]2>>[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:44]([c:42]3[cH:41][cH:40][c:39]4[c:38]([cH:43]3)[O:37][CH2:36][O:35]4)=[O:45])[cH:33][cH:34]2)[cH:10][cH:11]1