HRID799472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：CCOC(=O)c1ccc(-c2ncnc3ccc(Cl)cc23)cc1F

HCID22031224

未命名化合物

结构：OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID22031737

[1-(Triphenylmethyl)-1H-pyrazol-4-yl]boronic acid

C22H19BN2O2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ncnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc23)cc1F

HCID22031192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71ceec7283ae4b8dac7e3de3bdc4ea54
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

[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[n:43]1[n:44][cH:45][c:46]([B:48]([OH:49])[OH:50])[cH:47]1.[C:53]([P:54]([C:55]([CH3:56])([CH3:57])[CH3:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][c:64]1-[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)([CH3:71])([CH3:72])[CH3:73].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:12]3[cH:13][c:14]([F:23])[c:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][cH:22]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[F-:51].[K+:52].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:83].[Pd+2:74]>>[c:2]1(-[c:46]2[cH:45][n:44][n:43]([C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:47]2)[cH:3][c:4]2[c:5](-[c:12]3[cH:13][c:14]([F:23])[c:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][cH:22]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1