HRID198442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID592139

1-(2,4-Dihydroxy-3-methylphenyl)ethanone

C9H10O3

HCID68535288

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(OCc2cccc(Sc3ccc(C#N)nc3)c2)c(C)c1O

HCID59599513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d47e84222cb9491f83b6887c42600c70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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