HRID311092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC#CCOc1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccc(Br)cc23)C(=O)OCC)cc1

HCID57805991

未命名化合物

PRODUCTS

生成物

结构：CC#CCOc1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccc(Br)cc23)C(=O)O)cc1

HCID11591268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c0c9c05507f446385f74e2475741fea
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

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