HRID167119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID31216

Borane, tributyl-

C12H27B

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1

HCID9799942

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1

HCID22315243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8631078e591a4793beaa1a5e1500c9bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:38]([B:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:52][C:53](=[O:54])[O-:55].[CH:13]1([CH2:18][CH:19]([C:20](=[O:21])[NH:22][c:23]2[s:24][cH:25][cH:26][n:27]2)[c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]2)[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:1]([NH:4][CH:2]([CH3:3])[CH3:5])([CH3:6])[CH3:7].[Na+:51].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:61]>>[NH2:4][S:34]([c:31]1[cH:30][cH:29][c:28]([CH:19]([CH2:18][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[C:20](=[O:21])[NH:22][c:23]2[s:24][cH:25][cH:26][n:27]2)[cH:33][cH:32]1)(=[O:35])=[O:36]