HRID160151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

HCID2763184

Ethyl 2-chloro-1,3-oxazole-4-carboxylate

C6H6ClNO3

PRODUCTS

生成物

HCID46834789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fe8e760fc314151a22f0942926ec2b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[Cl:1][c:2]1[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1.[K+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[Pd:41].[Pd:42]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([CH2:13][OH:12])[cH:19][cH:18]2)[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1