HRID2322237

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

HCID10419531

3,5-Dihydroxy-4-acetyltoluene

C9H10O3

结构：CC(=O)OCC1SC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID11405848

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1SC(Oc2cc(C)cc(O)c2C(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea6ce0c1b2874ddbb20c8549af4518fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([OH:7])[S:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15].[C:25]([CH3:26])(=[O:27])[c:28]1[c:29]([OH:30])[cH:31][c:32]([CH3:36])[cH:33][c:34]1[OH:35].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:56]=[C:57]([O:58][CH:59]([CH3:60])[CH3:61])[N:62]=[N:63][C:64]([O:65][CH:66]([CH3:67])[CH3:68])=[O:69].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:34]2[c:28]([C:25]([CH3:26])=[O:27])[c:29]([OH:30])[cH:31][c:32]([CH3:36])[cH:33]2)[S:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15]