HRID689749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID14273

2-Pyridinecarboxaldehyde

C6H5NO

HCID28123

Tetrahydroborate

H4B-

结构：CN(Cc1cn(-c2ccccc2CN)nn1)C1CCCc2cccnc21

HCID44241922

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cn(-c2ccccc2CNCc2ccccn2)nn1)C1CCCc2cccnc21

HCID59176612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e301d1d197c45a18a1f8bbb82f57a75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:46].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:48][OH:49].[ClH:1].[ClH:2].[ClH:3].[ClH:4].[NH2:5][CH2:6][c:7]1[c:8](-[n:13]2[n:14][n:15][c:16]([CH2:18][N:19]([CH:20]3[CH2:21][CH2:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][n:28][c:29]43)[CH3:30])[cH:17]2)[cH:9][cH:10][cH:11][cH:12]1.[Na+:47].[n:31]1[c:32]([CH:37]=[O:38])[cH:33][cH:34][cH:35][cH:36]1>>[NH:5]([CH2:6][c:7]1[c:8](-[n:13]2[n:14][n:15][c:16]([CH2:18][N:19]([CH:20]3[CH2:21][CH2:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][n:28][c:29]43)[CH3:30])[cH:17]2)[cH:9][cH:10][cH:11][cH:12]1)[CH2:37][c:32]1[n:31][cH:36][cH:35][cH:34][cH:33]1