HRID809600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID11137599

3,5-Dichloro-4-pyridinecarbonitrile

C6H2Cl2N2

结构：CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)OC1(C)C

HCID16125230

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：N#Cc1c(Cl)cncc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1

HCID58380777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8da14513d77b4e028078ef502edbde6c
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

[Cl:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([Cl:10])[cH:7][n:8][cH:9]1.[F:11][c:12]1[c:13]([NH:22][C:23](=[O:24])[NH:25][c:26]2[cH:27][cH:28][c:29]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[cH:30][cH:31]2)[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]1.[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:52].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([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)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([NH:25][C:23]([NH:22][c:13]3[c:12]([F:11])[cH:17][cH:16][c:15]([C:18]([F:19])([F:20])[F:21])[cH:14]3)=[O:24])[cH:31][cH:30]2)[c:3]([C:4]#[N:5])[c:6]([Cl:10])[cH:7][n:8][cH:9]1