HRID88421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID68181989

未命名化合物

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：CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12

HCID60163378

Imidazo[5,1-f][1,2,4]triazin-4-amine, N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-

C18H16F3N7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07352f9286f44bc68a1bdbcdc5875aad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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