HRID947918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)OC)CN(C(=O)OC(C)(C)C)C1

HCID68433534

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1

HCID68431359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f90b2578a474d049eb9a886c4eb3fa1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:17](=[O:18])[N:19]([CH:20]2[CH2:21][CH:22]([C:33](=[O:34])[O:35][CH3:36])[CH2:23][N:24]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:25]2)[CH2:37][CH:38]([CH3:39])[CH3:40])[c:9]([NH:11][CH2:12][CH2:13][CH2:14][O:15][CH3:16])[n:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:43][OH:44].[Na+:42].[OH-:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:17](=[O:18])[N:19]([CH:20]2[CH2:21][CH:22]([C:33](=[O:34])[OH:35])[CH2:23][N:24]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:25]2)[CH2:37][CH:38]([CH3:39])[CH3:40])[c:9]([NH:11][CH2:12][CH2:13][CH2:14][O:15][CH3:16])[n:10]1