HRID2327107

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(COc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)cc2)cc1)C(C)C

HCID86598632

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(COc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)cc2)cc1)C(=O)O

HCID73044432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f1616bddb941338bfbd4b27705132c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]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[cH:27][c:28]([C:40]([F:41])([F:42])[F:43])[n:29][c:30]4[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][c:35]34)[cH:22][cH:23]2)[cH:16][cH:17]1)=[O:44].[CH3:45][OH:46].[Na+:48].[OH-:47]>>[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[cH:27][c:28]([C:40]([F:41])([F:42])[F:43])[n:29][c:30]4[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][c:35]34)[cH:22][cH:23]2)[cH:16][cH:17]1)[OH:44]