HRID156494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

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

HCID62481644

(4-Bromo-2-chlorophenyl)cyanamide

C7H4BrClN2

PRODUCTS

生成物

HCID16037643

[2-Chloro-4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]cyanamide

C13H9ClN4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-473d0ec231b9440cb273a0d7d136b215
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

[Br-:42].[Br:1][c:2]1[cH:3][c:4]([Cl:11])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1.[C:23](=[O:24])([O-:25])[O-:26].[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH2:99]1[O:100][CH2:101][CH2:102][CH2:103]1.[CH3:12][n:13]1[c:14]([B:20]([OH:21])[OH:22])[cH:15][cH:16][c:17]1[C:18]#[N:19].[CH:45](=[CH:46][C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)=[O:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:63](=[CH:64][C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74])[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:81](=[CH:82][C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)=[O:92])[c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[K+:27].[K+:28].[Pd:43].[Pd:44]>>[c:2]1(-[c:14]2[n:13]([CH3:12])[c:17]([C:18]#[N:19])[cH:16][cH:15]2)[cH:3][c:4]([Cl:11])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1