HRID1565455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)C1CCC(n2nc(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CC1

HCID67004503

未命名化合物

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(Br)cc12

HCID67004571

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：CCOC(=O)C1CCC(n2nc(C)c(-c3cnc4[nH]cc(C(C)c5c(OC)ccc(F)c5Cl)c4c3)c2C)CC1

HCID76167948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a8d4bb4df5d4c6384e50897321a5a20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20].[CH3:23][c:24]1[n:25][n:26]([CH:39]2[CH2:40][CH2:41][CH:42]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:43][CH2:44]2)[c:27]([CH3:38])[c:28]1[B:29]1[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]1.[F-:50].[K+:51].[O:130]1[CH2:131][CH2:132][O:133][CH2:134][CH2:135]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:28]2[c:24]([CH3:23])[n:25][n:26]([CH:39]3[CH2:40][CH2:41][CH:42]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[CH2:43][CH2:44]3)[c:27]2[CH3:38])[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20]