HRID681252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10894

4-Iodophenol

C6H5IO

HCID11776

Triphenylphosphine

C18H15P

HCID14357405

未命名化合物

HCID59759352

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(I)cc2)cs1

HCID59759080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-888b821e96fe472393246b231ecfe2b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][OH:18])[n:15]1)=[O:19].[N+:47]([C:48]([O:49][CH2:50][CH3:51])=[O:52])([C:53]([O:54][CH2:55][CH3:56])=[O:57])=[N-:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:20][c:21]1[cH:22][cH:23][c:24]([I:25])[cH:26][cH:27]1.[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:21]2[cH:22][cH:23][c:24]([I:25])[cH:26][cH:27]2)[n:15]1)=[O:19]