HRID152716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID9005

Trimethoxymethane

C4H10O3

HCID28123

Tetrahydroborate

H4B-

HCID139575

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

C5H6N2O

HCID23155393

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCNC(=O)c1ccc(CNCc2nccn2C)cc1

HCID67103805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53ea5412eaae486790f9ad24e0c27dd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:38].[CH3:30][n:31]1[c:32]([CH:36]=[O:37])[n:33][cH:34][cH:35]1.[CH3:40][OH:41].[CH:23]([O:24][CH3:25])([O:26][CH3:27])[O:28][CH3:29].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH2:12][CH2:13][N:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[cH:21][cH:22]1.[Na+:39].[OH2:42]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH2:12][CH2:13][N:14]([CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH3:20])[cH:21][cH:22]1)[CH2:36][c:32]1[n:31]([CH3:30])[cH:35][cH:34][n:33]1