HRID1235658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11907

2-Hydroxybenzonitrile

C7H5NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID28179

Fluoride

F-

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-d21e57da8ead402fa003426c0d91c1a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:46].[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].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[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.[F-:38].[K+:36].[K+:37].[K+:39].[OH2:45]>>[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