HRID2333113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID79396

4-tert-Butylcyclohexylamine

C10H21N

HCID498716

未命名化合物

HCID22501787

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1CCC(NCc2ccc(C(=O)Nc3nn[nH]n3)cc2)CC1

HCID22502404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9b46c2a4ebf45e3bbd1a210fef85d7d
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

[C:17]([CH3:18])([CH3:19])([CH3:20])[CH:21]1[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]1.[C:32]([BH3-:33])#[N:34].[CH3:28][C:29](=[O:30])[OH:31].[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH3:43][O:44][CH:45]([O:46][CH3:47])[O:48][CH3:49].[CH3:50][OH:51].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][n:12][nH:13][n:14]2)[cH:15][cH:16]1.[Na+:35]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][n:12][nH:13][n:14]2)[cH:15][cH:16]1)[NH:27][CH:24]1[CH2:23][CH2:22][CH:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:26][CH2:25]1