HRID2141185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COCCC1(C(=O)NC(Cc2ccc(-c3cc(Cl)cn(C)c3=O)cc2)C(=O)OC)CCCC1

HCID22382043

未命名化合物

PRODUCTS

生成物

结构：COCCC1(C(=O)NC(Cc2ccc(-c3cc(Cl)cn(C)c3=O)cc2)C(=O)O)CCCC1

HCID10276379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38c2c3f66a8646af8d7930e6f84df446
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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