HRID91062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID6331

Borane

H3B

HCID58762619

6-Methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C7H6N4O

结构：Cc1cc(CCC2(C3CCCC3)CC(O)=CC(=O)O2)ccc1C(C)(C)C#N

HCID69057573

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)C#N)c(C)c4)(C4CCCC4)OC3=O)nn2c1

HCID58764242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be0131b8243c4b9f81b829c00bc28c0d
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

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