HRID116951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(COc3nc4ccccc4cc3C)cc2)cc1)C(C)C

HCID67110430

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2ccccc2nc1OCc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc2)cc1

HCID11454922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f37db3510acb4a4d8caa9115a44a7fc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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