HRID1131367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID345420

4-Fluoro-4'-hydroxybiphenyl

C12H9FO

反应SMILES：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCO)cs1

HCID59759352

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2)cs1

HCID59759296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-841b37f1bdb143b5a0f865f6bd729bc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[F:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]2)[cH:25][cH:26]1.[O:53]=[C:54]([O:55][CH:56]([CH3:57])[CH3:58])[N:59]=[N:60][C:61]([O:62][CH:63]([CH3:64])[CH3:65])=[O:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]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:30]2[cH:29][cH:28][c:27](-[c:24]3[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]3)[cH:32][cH:31]2)[n:15]1)=[O:19]