HRID214111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)CN1CC(C(=O)OC)C1

HCID68579536

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OCC(O)CN1CC(C(=O)O)C1

HCID68577903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ace0d5153747c7a9be9e0b8c275e65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][N:7]([CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:37][CH3:38])[cH:15][c:16](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[n:28][c:29]([CH3:31])[cH:30]4)[n:24]3)[cH:17][c:18]2[CH3:19])[OH:39])[CH2:8]1.[CH3:43][OH:44].[CH:40]([OH:41])=[O:42].[Li+:51].[OH-:50]>>[O:2]=[C:3]([OH:4])[CH:5]1[CH2:6][N:7]([CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:37][CH3:38])[cH:15][c:16](-[c:20]3[n:21][o:22][c:23](-[c:25]4[cH:26][c:27]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[n:28][c:29]([CH3:31])[cH:30]4)[n:24]3)[cH:17][c:18]2[CH3:19])[OH:39])[CH2:8]1