HRID1554369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID312485

TERT-BUTYL 3-HYDROXYPHENYLCARBAMATE

C11H15NO3

HCID2800815

4-(2-hydroxyethyl)benzonitrile

C9H9NO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(OCCc2ccc(C#N)cc2)c1

HCID22033522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e41a48ddda134312802eb10c4af3492b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]1.[C:35](#[N:36])[c:37]1[cH:38][cH:39][c:40]([CH2:43][CH2:44][OH:45])[cH:41][cH:42]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[OH2:46].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([O:15][CH2:44][CH2:43][c:40]2[cH:39][cH:38][c:37]([C:35]#[N:36])[cH:42][cH:41]2)[cH:12][cH:13][cH:14]1