HRID2129109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：N#Cc1c(Br)n(-c2ccc(O)c(F)c2F)c2ccccc12

HCID44464805

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：Cc1noc(C)c1-c1c(C#N)c2ccccc2n1-c1ccc(O)c(F)c1F

HCID44466106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77d94eac1084dbcaab008bb104c46d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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