HRID695580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

反应SMILES：COC(=O)CCNC(=O)c1ccc(C(CC(C)(C)C)Oc2cnc(Cl)c(C)c2)cc1

HCID86615990

未命名化合物

反应SMILES：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

产物

反应SMILES：COC(=O)CCNC(=O)c1ccc(C(CC(C)(C)C)Oc2cnc(-c3ccc(OC(F)(F)F)cc3)c(C)c2)cc1

HCID67153538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb9fe244d62d42dbb9e55cf96e599c2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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