HRID2336642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID87251

Methanesulfinic acid

CH4O2S

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(Br)cc3F)nc2)CC1

HCID66673150

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3F)nc2)CC1

HCID24994336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-119c1534596443299e44c01251411bb4
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

[Br:1][c:2]1[cH:3][c:4]([F:29])[c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:12][n:13]2)[cH:6][cH:7]1.[CH3:31][S:32](=[O:33])[OH:34].[CH3:37][S:38]([CH3:39])=[O:40].[Na+:36].[Na:30].[OH-:35].[OH2:41]>>[c:2]1([S:32]([CH3:31])(=[O:33])=[O:34])[cH:3][c:4]([F:29])[c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:12][n:13]2)[cH:6][cH:7]1