HRID197509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11907

2-Hydroxybenzonitrile

C7H5NO

HCID16028

Tetrabutylammonium

C16H36N+

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-0d6e291010644b1b9bcf151d4979a972
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br-:42].[C:3](#[N:4])[c:5]1[c:6]([OH:11])[cH:7][cH:8][cH:9][cH:10]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[Cl:12][c:13]1[cH:14][c:15]([O:19][c:20]2[c:21]([C:26]([C:27](=[O:28])[O:29][CH3:30])=[CH:31][O:32][CH3:33])[cH:22][cH:23][cH:24][cH:25]2)[n:16][cH:17][n:18]1.[K+:2].[OH-:1].[OH2:41]>>[C:3](#[N:4])[c:5]1[c:6]([O:11][c:13]2[cH:14][c:15]([O:19][c:20]3[c:21]([C:26]([C:27](=[O:28])[O:29][CH3:30])=[CH:31][O:32][CH3:33])[cH:22][cH:23][cH:24][cH:25]3)[n:16][cH:17][n:18]2)[cH:7][cH:8][cH:9][cH:10]1