HRID698328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4ccccc4OC(C)=O)CC3)C(=O)C2(C)C)cc1OC

HCID46202726

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4ccccc4O)CC3)C(=O)C2(C)C)cc1OC

HCID46202727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be65dd7790864dc8bc71a2e5c89eaf3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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