HRID309702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7622

Tributylamine

C12H27N

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID19423365

未命名化合物

HCID19423370

2-Methylpropyl 2-hydroxy-5-iodobenzoate

C11H13IO3

PRODUCTS

生成物

结构：Cc1cccnc1NS(=O)(=O)c1ccc(C=Cc2ccc(O)c(C(=O)OCC(C)C)c2)cc1

HCID54356729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-560ebfebd70847c9b6da1eaa629f8cde
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

[CH3:35][CH2:36][CH2:37][CH2:38][N:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][C:49]([N:50]([CH3:51])[CH3:52])=[O:53].[CH:16](=[CH2:17])[c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[CH3:34])[cH:22][cH:23]1.[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[CH3:10])[cH:11][c:12]([I:15])[cH:13][cH:14]1.[Pd+2:54]>>[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[CH3:10])[cH:11][c:12]([CH:17]=[CH:16][c:18]2[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][c:28]3[n:29][cH:30][cH:31][cH:32][c:33]3[CH3:34])[cH:22][cH:23]2)[cH:13][cH:14]1