HRID679630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(N(CCO)Cc4ccccc4)n2)CNCC3)cc1

HCID59333739

未命名化合物

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(Nc2nc3c(c(N(CCO)Cc4ccccc4)n2)CN(C)CC3)cc1

HCID46199585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f2d3d0eb9144c57a4692892f06fa21f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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