HRID1118316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5798

Benzimidazole

C7H6N2

HCID6342

Acetonitrile

C2H3N

HCID8186

Undecanal

C11H22O

HCID3757586

未命名化合物

HCID14178100

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCC(N1CC(CCC)CC1=O)n1cnc2ccccc21

HCID58911263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de541fb9e2d24eb790ba1d97eaa5f709
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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