HRID157305

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+

HCID139575

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

C5H6N2O

HCID498716

未命名化合物

结构：CCCN(CCC)CCCCC1=Cc2ccc(CNCc3ncc[nH]3)cc2C1

HCID23155525

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCC1=Cc2ccc(CN(Cc3ncc[nH]3)Cc3nccn3C)cc2C1

HCID58345790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17bb01a491b749f5a7dcab52039942e4
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

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