HRID838143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID7807

4-Bromoaniline

C6H6BrN

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID11708078

5-CYANO-1-METHYL-1H-PYRROL-2-YLBORONIC ACID

C6H7BN2O2

PRODUCTS

生成物

HCID16050430

5-(4-Aminophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

C12H11N3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9760ace77564231b1ed7b1477f586be
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[C:22]([P:23]([C:24]([CH3:25])([CH3:26])[CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[CH3:9][n:10]1[c:11]([B:17]([OH:18])[OH:19])[cH:12][cH:13][c:14]1[C:15]#[N:16].[F-:20].[K+:21].[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.[Pd:41].[Pd:42]>>[c:2]1(-[c:11]2[n:10]([CH3:9])[c:14]([C:15]#[N:16])[cH:13][cH:12]2)[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1