HRID819538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID23094070

2-(4-Bromophenyl)-1-phenyl-1H-benzimidazole

C19H13BrN2

结构：OB(O)c1cc(-c2ccccc2)cc2c1sc1ccc(-c3ccccc3)cc12

HCID58309671

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2ccc3sc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5ccccc5)cc4c3c2)cc1

HCID58309550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c1c706711e143c0a949ff36226ccd48
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](-[c:8]2[n:9][c:10]3[c:11]([n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:6][cH:7]1.[C:73](=[O:74])([O-:75])[O-:76].[CH3:88][CH2:89][OH:90].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[K+:77].[K+:78].[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[Pd+2:79].[c:23]1(-[c:29]2[cH:30][c:31]3[c:32]([s:33][c:34]4[c:35]3[cH:36][c:37](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:38][cH:39]4)[c:46]([B:48]([OH:49])[OH:50])[cH:47]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][c:57]1[P:58]([c:59]1[cH:60][cH:61][cH:62][cH:63][c:64]1[CH3:65])[c:66]1[cH:67][cH:68][cH:69][cH:70][c:71]1[CH3:72]>>[c:2]1(-[c:46]2[c:32]3[c:31]([cH:30][c:29](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:47]2)[c:35]2[c:34]([s:33]3)[cH:39][cH:38][c:37](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:36]2)[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]3)[cH:6][cH:7]1