HRID1129238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

3 次

HCID6342

Acetonitrile

C2H3N

HCID9718

Benzenediazonim

C6H5N2+

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID95417

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

C17H14O

3 次

HCID59001787

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID59001784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8f3f6335e0e42cb8a1421dc53d9e1f7
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

[B-:21]([F:22])([F:23])([F:24])[F:25].[C:37]([O-:38])(=[O:39])[CH3:40].[CH3:42][C:43]#[N:44].[F:1][c:2]1[c:3]([CH:9]2[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH:12]=[CH:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[Na+:41].[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.[OH2:34].[OH2:35].[OH2:36].[Pd:45].[Pd:46].[c:26]1([N+:32]#[N:33])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[F:1][c:2]1[c:3]([C:9]2=[CH:13][CH:12]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:10]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1