HRID1127115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734361

Indole-5-boronic acid

C8H8BNO2

HCID21072604

3-(4-Iodophenoxy)-1-azabicyclo[2.2.2]octane

C13H16INO

PRODUCTS

生成物

结构：c1cc2cc(-c3ccc(OC4CN5CCC4CC5)cc3)ccc2[nH]1

HCID11324611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9c3a5a738c14a35b6e919426f92ccb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F-:35].[I:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1.[K+:29].[K+:30].[K+:36].[O-:31][C:32]([O-:33])=[O:34].[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:48].[Pd:49].[nH:17]1[cH:18][cH:19][c:20]2[cH:21][c:22]([B:26]([OH:27])[OH:28])[cH:23][cH:24][c:25]12>>[c:2]1(-[c:22]2[cH:21][c:20]3[cH:19][cH:18][nH:17][c:25]3[cH:24][cH:23]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1