HRID2153806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID118506

1-Butylimidazolidine-2,4-dione

C7H12N2O2

HCID5062348

未命名化合物

HCID10334966

METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE

C17H20N2O3

PRODUCTS

生成物

结构：CCCCc1ncc(C(O)C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(C(=O)OC)cc1

HCID19919823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac7e8f3ee6d4c0ebd16c0b38d90d727
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]([CH2:2][CH2:3][CH3:4])[N:5]1[C:6](=[O:11])[NH:7][C:8](=[O:10])[CH2:9]1.[CH2:20]([CH2:21][CH2:22][CH3:23])[c:24]1[n:25]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41]2)[c:26]([CH:29]=[O:30])[cH:27][n:28]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:12]([N-:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl-:42].[Li+:19].[NH4+:43]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[C:6](=[O:11])[NH:7][C:8](=[O:10])[CH:9]1[CH:29]([c:26]1[n:25]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41]2)[c:24]([CH2:20][CH2:21][CH2:22][CH3:23])[n:28][cH:27]1)[OH:30]