HRID202196

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-

HCID1501874

3-methylpyridine-2-carbaldehyde

C7H7NO

结构：NCCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

HCID10317717

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1CNCCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

HCID9982881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79e7876cdba543c8946828b5ff15053c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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