HRID291854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID87251

Methanesulfinic acid

CH4O2S

HCID5360545

Sodium

2 次

结构：CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1

HCID44611232

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1

HCID66773242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41a0e51920fe4e4ca4f75f0b71510760
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]([CH2:5][n:6]1[n:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][CH:10]2[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([Br:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)=[O:30].[CH3:32][S:33](=[O:34])[OH:35].[CH3:45][S:46](=[O:47])[CH3:48].[Cu:50][I:51].[NH:37]1[CH2:38][CH2:39][CH2:40][CH:41]1[C:42]([OH:43])=[O:44].[Na:31].[Na:36].[OH2:49]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[n:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][CH:10]2[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([S:33]([CH3:32])(=[O:34])=[O:35])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)=[O:30]