HRID2346090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8013

1,3-Propanedithiol

C3H8S2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：CC(C)(C(=O)c1ccc(-c2ccc(Br)cc2)cc1)N1CCOCC1

HCID19360622

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(=O)c1ccc(-c2ccc(SCCCS)cc2)cc1)N1CCOCC1

HCID19360597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91cbe16f26224cad9d8487750a848e5d
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][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([C:15]([CH3:16])([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[CH3:23])=[O:24])[cH:12][cH:13]2)[cH:6][cH:7]1.[C:30](=[O:31])([O-:32])[O-:33].[CH2:25]([CH2:26][CH2:27][SH:28])[SH:29].[CH3:37][C:38]([N:39]([CH3:40])[CH3:41])=[O:42].[K+:34].[K+:35].[OH2:36]>>[c:2]1([S:29][CH2:25][CH2:26][CH2:27][SH:28])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([C:15]([CH3:16])([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[CH3:23])=[O:24])[cH:12][cH:13]2)[cH:6][cH:7]1