HRID1536377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID11182957

4-hydroxy-benzo[b]thiophene-7-carboxaldehyde

C9H6O2S

HCID11579232

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(C(C)(C)C)nc1CCOc1ccc(C=O)c2sccc12

HCID21949663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58c31ba9ed2c482fa41950215c96e3db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]([CH3:13])[c:8]([CH2:10][CH2:11][OH:12])[n:9]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:45]=[C:46]([O:47][CH:48]([CH3:49])[CH3:50])[N:51]=[N:52][C:53]([O:54][CH:55]([CH3:56])[CH3:57])=[O:58].[OH:14][c:15]1[cH:16][cH:17][c:18]([CH:24]=[O:25])[c:19]2[s:20][cH:21][cH:22][c:23]12.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]([CH3:13])[c:8]([CH2:10][CH2:11][O:12][c:15]2[cH:16][cH:17][c:18]([CH:24]=[O:25])[c:19]3[s:20][cH:21][cH:22][c:23]23)[n:9]1