HRID161505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69703

Acetyl chloride, phenoxy-

C8H7ClO2

结构：CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC

HCID66603748

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC)C(=O)COc1ccccc1

HCID66607838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7cfd74c3b5e41e7b30e97fc85728f42
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

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