HRID1214378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID139575

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

C5H6N2O

HCID498716

未命名化合物

结构：CCCN(CCC)CCCCNC(=O)c1cn2c(n1)CCC(CNCc1ncc[nH]1)C2

HCID23155404

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCNC(=O)c1cn2c(n1)CCC(CN(Cc1ncc[nH]1)Cc1nccn1C)C2

HCID58345808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f08e98731d64893b78453089de770b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]2[n:15]([cH:28]1)[CH2:16][CH:17]([CH2:20][NH:21][CH2:22][c:23]1[nH:24][cH:25][cH:26][n:27]1)[CH2:18][CH2:19]2)[CH2:29][CH2:30][CH3:31].[CH3:32][n:33]1[c:34]([CH:38]=[O:39])[n:35][cH:36][cH:37]1.[CH3:49][OH:50].[CH3:51][C:52](=[O:53])[OH:54].[Na+:43].[Na+:48]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]2[n:15]([cH:28]1)[CH2:16][CH:17]([CH2:20][N:21]([CH2:22][c:23]1[nH:24][cH:25][cH:26][n:27]1)[CH2:38][c:34]1[n:33]([CH3:32])[cH:37][cH:36][n:35]1)[CH2:18][CH2:19]2)[CH2:29][CH2:30][CH3:31]