HRID121526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6331

Borane

H3B

结构：COc1cc(OC)c(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl

HCID16728701

未命名化合物

HCID23635226

5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C8H8N4O

PRODUCTS

生成物

结构：COc1cc(OC)c(CCC2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl

HCID68868698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc91630d234e4996b1cbc7f742bb82b7
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

[BH3:40].[CH3:27][c:28]1[n:29][c:30]2[n:31]([c:32]([CH3:34])[cH:33]1)[n:35][c:36]([CH:38]=[O:39])[n:37]2.[CH3:41][NH:42][CH3:43].[CH3:45][OH:46].[Cl:1][c:2]1[c:3]([O:25][CH3:26])[cH:4][c:5]([O:23][CH3:24])[c:6]([CH2:8][CH2:9][C:10]2([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[CH2:11][C:12](=[O:17])[CH2:13][C:14](=[O:16])[O:15]2)[cH:7]1.[ClH:44].[OH2:47]>>[Cl:1][c:2]1[c:3]([O:25][CH3:26])[cH:4][c:5]([O:23][CH3:24])[c:6]([CH2:8][CH2:9][C:10]2([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[CH2:11][C:12](=[O:17])[CH:13]([CH2:38][c:36]3[n:35][n:31]4[c:30]([n:29][c:28]([CH3:27])[cH:33][c:32]4[CH3:34])[n:37]3)[C:14](=[O:16])[O:15]2)[cH:7]1