HRID699629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID11907

2-Hydroxybenzonitrile

C7H5NO

HCID19660

Carbonate

CO3-2

HCID53401286

Methyl 2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoate

C15H13ClN2O4

PRODUCTS

生成物

结构：COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

HCID86400

Methyl 2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate

C22H17N3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef98b3138b2043029880fc78a34efcaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:23](#[N:24])[c:25]1[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]1.[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[N:39]2[CH2:40][CH2:41][N:42]([CH2:43][CH2:44]2)[CH2:45]1.[CH2:47]([C:48]([CH3:49])=[O:50])[CH:51]([CH3:52])[CH3:53].[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[c:10]([C:15]([C:16](=[O:17])[O:18][CH3:19])=[CH:20][O:21][CH3:22])[cH:11][cH:12][cH:13][cH:14]2)[n:5][cH:6][n:7]1.[K+:36].[K+:37].[OH2:46]>>[c:2]1([O:31][c:26]2[c:25]([C:23]#[N:24])[cH:30][cH:29][cH:28][cH:27]2)[cH:3][c:4]([O:8][c:9]2[c:10]([C:15]([C:16](=[O:17])[O:18][CH3:19])=[CH:20][O:21][CH3:22])[cH:11][cH:12][cH:13][cH:14]2)[n:5][cH:6][n:7]1