HRID2343936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID24401

Permanganate Ion

MnO4-

HCID61778

Bisulfate anion

HO4S-

HCID75057

N,N,N-Trihexyl-1-hexanaminium

C24H52N+

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

PRODUCTS

生成物

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

HCID15044819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-702dbe2a945544acbc5128c3c520ce0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:2](#[N:3])[c:4]1[c:5]([O:6][c:7]2[cH:8][c:9]([O:13][c:14]3[c:15]([C:20]([C:21](=[O:22])[O:23][CH3:24])=[CH:25][O:26][CH3:27])[cH:16][cH:17][cH:18][cH:19]3)[n:10][cH:11][n:12]2)[cH:28][cH:29][cH:30][cH:31]1.[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[Cl:38][CH2:39][Cl:40].[K+:37].[Mn:32](=[O:33])([O-:34])(=[O:35])=[O:36].[OH2:1].[S:41]([O-:42])([OH:43])(=[O:44])=[O:45]>>[C:2](#[N:3])[c:4]1[c:5]([O:6][c:7]2[cH:8][c:9]([O:13][c:14]3[c:15]([C:20]([C:21](=[O:22])[O:23][CH3:24])=[O:33])[cH:16][cH:17][cH:18][cH:19]3)[n:10][cH:11][n:12]2)[cH:28][cH:29][cH:30][cH:31]1