HRID2316082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID105282

Benzoyl chloride, 4-(hexadecylamino)-

C23H38ClNO

HCID178511842

未命名化合物

PRODUCTS

生成物

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

HCID23457872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cecbf0a719a34320bdfe343673df2b19
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

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