HRID2136112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7808

4-Bromophenol

C6H5BrO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID22145704

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(Br)cc2)cs1

HCID59759336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17e79b21a34f49c98928a4439b5007af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]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][OH:18])[n:15]1)=[O:19].[N+:47]([C:48]([O:49][CH:50]([CH3:51])[CH3:52])=[O:53])([C:54]([O:55][CH:56]([CH3:57])[CH3:58])=[O:59])=[N-:60].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]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:24]2[cH:23][cH:22][c:21]([Br:20])[cH:26][cH:25]2)[n:15]1)=[O:19]