HRID1124275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：CCOC(=O)CCc1cn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)nc1OCC

HCID69421691

未命名化合物

PRODUCTS

产物

反应SMILES：CCOc1nn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)cc1CCC(=O)O

HCID69424019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2690fb73d0a04f2eab546d3e33971f50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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