HRID2146734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID67879

Benzoyl chloride, 4-fluoro-

C7H4ClFO

结构：COC(=O)C=Cc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1

HCID68917518

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(C=CC(=O)O)cc2)c2ccccc21

HCID68921117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-727aa533b4754e809f2e6bbb0c22d79d
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

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:11][O:12][C:13]([CH:14]=[CH:15][c:16]1[cH:17][cH:18][c:19]([C:22](=[O:23])[N:24]2[CH:25]([CH3:45])[CH2:26][CH:27]([N:34]([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[C:42]([CH3:43])=[O:44])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]32)[cH:20][cH:21]1)=[O:46].[CH3:54][OH:55].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6]([Cl:7])=[O:8])[cH:9][cH:10]1.[Li+:48].[OH-:47]>>[O:12]=[C:13]([CH:14]=[CH:15][c:16]1[cH:17][cH:18][c:19]([C:22](=[O:23])[N:24]2[CH:25]([CH3:45])[CH2:26][CH:27]([N:34]([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[C:42]([CH3:43])=[O:44])[c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]32)[cH:20][cH:21]1)[OH:46]