HRID107491

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)CCCCN(C)S(=O)(=O)c1ccc(CNCc2ncc[nH]2)cc1

HCID21084503

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CCCCN(C)S(=O)(=O)c1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

HCID11950614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f28337fa764a5e821c509f863cd585
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][CH2:7][CH2:8][N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:19][NH:20][CH2:21][c:22]2[nH:23][cH:24][cH:25][n:26]2)[cH:17][cH:18]1)[CH3:27])[CH2:28][CH2:29][CH3:30].[CH3:31][n:32]1[c:33]([CH:37]=[O:38])[n:34][cH:35][cH:36]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[Na+:42]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([CH2:19][N:20]([CH2:21][c:22]2[n:23][cH:24][cH:25][nH:26]2)[CH2:37][c:33]2[n:32]([CH3:31])[cH:36][cH:35][n:34]2)[cH:17][cH:18]1)[CH3:27])[CH2:28][CH2:29][CH3:30]