HRID2339462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cn(C4CCCCO4)c(CC(C)(C)O)n3)cc1OCC2

HCID58204895

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnc(CC(C)(C)O)[nH]3)cc1OCC2

HCID58204285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd0e8e7554f1446285359c047d6ccae9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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