HRID2125396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734338

3,5-Difluorophenylboronic acid

C6H5BF2O2

反应SMILES：CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccccc2)CC1

HCID59034585

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2cc(F)cc(F)c2)CC1

HCID67046487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dfa6f0612a964952aea4e45894917999
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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