HRID2315477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

结构：CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(=O)C(=O)OC(C)C)C(=O)C1C(C)C

HCID21302837

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(=O)C(=O)O)C(=O)C1C(C)C

HCID22284286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b88d73ed50c4002a12361ccfa7548a5
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

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