HRID146687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID642851

Diethyl(3-pyridyl)borane

C9H14BN

HCID19426024

7-Iodo-1-phenyl-5-(trifluoromethyl)-1H-benzimidazole

C14H8F3IN2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(-c2cccnc2)c2c(c1)ncn2-c1ccccc1

HCID11233066

1-Phenyl-7-(3-pyridyl)-5-trifluoromethylbenzimidazole

C19H12F3N3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cab143d16f644750bc74a8cf67294eb6
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

[C:32](=[O:33])([OH:34])[O-:35].[CH2:21]([B:22]([CH2:23][CH3:30])[c:24]1[cH:25][n:26][cH:27][cH:28][cH:29]1)[CH3:31].[CH2:41]([CH2:42][O:43][CH3:44])[O:45][CH3:46].[CH3:37][CH2:38][OH:39].[I:1][c:2]1[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6]2[c:7]1[n:8](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:9][n:10]2.[Na+:36].[OH2:40].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:24]2[cH:25][n:26][cH:27][cH:28][cH:29]2)[cH:3][c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6]2[c:7]1[n:8](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:9][n:10]2