HRID150601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID2800815

4-(2-hydroxyethyl)benzonitrile

C9H9NO

HCID22033487

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)OC(C)(C)C)cccc1OCCc1ccc(C#N)cc1

HCID22033517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fddd873983374183a9cb7738b9c86543
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

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][c:28]1[c:29]([CH3:35])[c:30]([OH:34])[cH:31][cH:32][cH:33]1.[C:36](#[N:37])[c:38]1[cH:39][cH:40][c:41]([CH2:44][CH2:45][OH:46])[cH:42][cH:43]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[OH2:47].[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>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][c:28]1[c:29]([CH3:35])[c:30]([O:34][CH2:45][CH2:44][c:41]2[cH:40][cH:39][c:38]([C:36]#[N:37])[cH:43][cH:42]2)[cH:31][cH:32][cH:33]1