HRID161740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1

HCID10324784

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1

HCID10370074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c628a6fbd3b6482abff417fcc32e871c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[N:7]([C:25]([CH2:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[CH2:8][CH2:9][N:10]([CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:11]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:49][OH:50].[Li+:42].[OH-:41].[OH2:43].[OH2:51]>>[O:3]=[C:4]([OH:5])[CH:6]1[N:7]([C:25]([CH2:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])[CH2:8][CH2:9][N:10]([CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:11]1