HRID2315774

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

结构：CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)nc1OCC

HCID23021932

未命名化合物

PRODUCTS

生成物

结构：CCOc1nn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)cc1CCC(=O)O

HCID69424011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310def4a0bb64328a92ae6100316b740
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

[CH2:1]([CH3:2])[O:3][c:4]1[n:5][n:6]([CH2:16][c:17]2[cH:18][c:19]([O:36][CH3:37])[c:20]([O:23][CH2:24][c:25]3[n:26][c:27](-[c:31]4[o:32][cH:33][cH:34][cH:35]4)[o:28][c:29]3[CH3:30])[cH:21][cH:22]2)[cH:7][c:8]1[CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH3:45][CH2:46][OH:47].[ClH:48].[Na+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:38]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][n:6]([CH2:16][c:17]2[cH:18][c:19]([O:36][CH3:37])[c:20]([O:23][CH2:24][c:25]3[n:26][c:27](-[c:31]4[o:32][cH:33][cH:34][cH:35]4)[o:28][c:29]3[CH3:30])[cH:21][cH:22]2)[cH:7][c:8]1[CH2:9][CH2:10][C:11](=[O:12])[OH:13]