HRID114505

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+

2 次

HCID961

Hydroxide

HO-

HCID139575

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

C5H6N2O

HCID498716

未命名化合物

结构：CCCN(CCC)Cc1ccc(NCc2ccc(CNCc3ncc[nH]3)cc2)cc1

HCID21084473

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)Cc1ccc(NCc2ccc(CN(Cc3ncc[nH]3)Cc3nccn3C)cc2)cc1

HCID58801910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24e2b855880e4076817b6aa851540a2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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