HRID2341195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID105282

Benzoyl chloride, 4-(hexadecylamino)-

C23H38ClNO

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)OC(C)(C)C#N)cc1

HCID23457770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a16b4d577e141ea91be6f301c345156
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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