HRID201251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID87251

Methanesulfinic acid

CH4O2S

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)N1CCC(COc2cnc(-c3ccc(Br)cc3)nc2)CC1

HCID66673116

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COc2cnc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1

HCID59177816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6854158dcb8c45e8a4e71da9a75ffe27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n: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.[CH3:30][S:31](=[O:32])[OH:33].[CH3:44][S:45]([CH3:46])=[O:47].[Na+:43].[Na:29].[OH-:42].[OH:34][C:35]([CH:36]1[NH:37][CH2:38][CH2:39][CH2:40]1)=[O:41]>>[c:2]1([S:31]([CH3:30])(=[O:32])=[O:33])[cH:3][cH:4][c:5](-[c:8]2[n: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