HRID824355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID72539380

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(F)cc2)nnc(N2CCNC(C)C2)c1C

HCID67176747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-739b3abc290241d7996ebe558683454d
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

[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl:1][c:2]1[n:3][n:4][c:5]([N:10]2[CH2:11][CH:12]([CH3:16])[NH:13][CH2:14][CH2:15]2)[c:6]([CH3:9])[c:7]1[CH3:8].[OH2:111].[OH:17][B:18]([OH:19])[c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1.[Pd:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[n:3][n:4][c:5]([N:10]2[CH2:11][CH:12]([CH3:16])[NH:13][CH2:14][CH2:15]2)[c:6]([CH3:9])[c:7]1[CH3:8]