HRID283126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID520020

5-Bromo-2-methoxybenzenesulfonyl chloride

C7H6BrClO3S

HCID53988436

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Br)cc1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F

HCID57473902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d54f7f0dbe3943fc8229b98c99f1188a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:17][c:18]1[cH:19][cH:20][c:21]([O:28][CH3:29])[c:22]([S:24](=[O:25])(=[O:26])[Cl:27])[cH:23]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[F:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[NH2:14])([F:15])[F:16].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[F:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[NH:14][S:24]([c:22]1[c:21]([O:28][CH3:29])[cH:20][cH:19][c:18]([Br:17])[cH:23]1)(=[O:25])=[O:26])([F:15])[F:16]