HRID148194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

HCID13551833

未命名化合物

结构：CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)CO

HCID58765743

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(OCC(C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

HCID69358904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d249e40aa634779aea5f200df86e337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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