HRID2338753

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：CCOC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccc(C)cc3N(CC(=O)C(C)(C)C)C2=O)c1

HCID21201850

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)N(CC(=O)C(C)(C)C)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)CN2C1CCCCC1

HCID21201568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f59a7a2f44114325806c782d1b8fcb19
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:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:41])[CH:10]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:33][cH:34][cH:35]2)[CH2:11][N:12]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:13]2[c:14]1[cH:15][c:16]([CH3:19])[cH:17][cH:18]2.[CH3:45][OH:46].[Li+:44].[OH-:43].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:41])[CH:10]([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([C:36](=[O:37])[OH:38])[cH:33][cH:34][cH:35]2)[CH2:11][N:12]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:13]2[c:14]1[cH:15][c:16]([CH3:19])[cH:17][cH:18]2