HRID1572599

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-

HCID24955

1H-Imidazole-2-carboxaldehyde

C4H4N2O

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)Cc3ncc[nH]3)cc2)cc1

HCID10028354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86d75d9134554d318b9830fa67b26698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:38]([BH3-:39])#[N:40].[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.[CH3:44][OH:45].[CH3:46][C:47](=[O:48])[OH:49].[Na+:41].[Na+:43].[OH-:42].[nH:31]1[c:32]([CH:36]=[O:37])[n:33][cH:34][cH:35]1>>[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)[CH2:36][c:32]3[nH:31][cH:35][cH:34][n:33]3)[cH:21][cH:22]2)[cH:13][cH:14]1