HRID108290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID15453451

4-(Benzyloxy)-3-hydroxybenzonitrile

C14H11NO2

结构：CCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(F)c1F

HCID21198210

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)N(C)c1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

HCID21198337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec34b3b6886040cd92b2d67ea906a465
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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