HRID1550109

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

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID546059

5-Bromothiazole

C3H2BrNS

结构：CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

HCID11371790

BUTYLDI-1-ADAMANTYLPHOSPHINE

C24H39P

结构：CC1(C)OB(c2cc(Br)cc(Nc3nccc(C(F)(F)F)n3)c2)OC1(C)C

HCID58456329

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccnc(Nc2cc(Br)cc(-c3cncs3)c2)n1

HCID58456408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38f97fb991794eec95cb905f9740b842
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:26][c:27]1[cH:28][c:29]([NH:42][c:43]2[n:44][cH:45][cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[n:48]2)[cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]1.[Br:53][c:54]1[cH:55][n:56][cH:57][s:58]1.[CH2:1]([P:2]([C:3]12[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][CH:9]([CH2:10]3)[CH2:11]1)[CH2:12]2)[C:13]12[CH2:14][CH:15]3[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]3)[CH2:21]1)[CH2:22]2)[CH2:23][CH2:24][CH3:25].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[F-:59].[K+:60].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[OH2:81].[Pd+2:72]>>[Br:26][c:27]1[cH:28][c:29]([NH:42][c:43]2[n:44][cH:45][cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[n:48]2)[cH:30][c:31](-[c:54]2[cH:55][n:56][cH:57][s:58]2)[cH:32]1