HRID1237139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID28123

Tetrahydroborate

H4B-

HCID139575

1H-Imidazole-2-carboxaldehyde, 1-methyl-

C5H6N2O

结构：CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1

HCID23079185

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CNCc3nccn3C)cc2)cc1

HCID66941901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa5431a7e10c497da28388fc148599d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH4-:41].[CH3:26][n:27]1[c:28]([CH:32]=[O:33])[n:29][cH:30][cH:31]1.[CH3:43][OH:44].[CH:34]([O:35][CH3:36])([O:37][CH3:38])[O:39][CH3:40].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23])[cH:14][cH:15]2)[cH:24][cH:25]1.[Na+:42]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23])[cH:14][cH:15]2)[cH:24][cH:25]1)[CH2:32][c:28]1[n:27]([CH3:26])[cH:31][cH:30][n:29]1