HRID2158061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID22311801

3,3,4,4-Tetramethylpyrrolidine

C8H17N

结构：Cc1[nH]c2ccc(OCCCl)cc2c1C(=O)OCc1ccccc1

HCID23393871

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c2ccc(OCCN3CC(C)(C)C(C)(C)C3)cc2c1C(=O)OCc1ccccc1

HCID10181383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-739c14c5b5594687a0bc3e8f74de1cfe
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

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