HRID159892

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：CC(C)(C#N)c1ccc(OCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1F

HCID60125017

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc2nc(CC3=C(O)CC(COc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nn2c1

HCID57477225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3120f8c3c5464d4db677216ad3580fb6
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

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