HRID114756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

HCID2734332

2,6-Dichlorophenylboronic Acid

C6H5BCl2O2

HCID4060964

未命名化合物

结构：CCOC(=O)C1C2Cc3cc(OCc4c(F)ccc(I)c4C)ccc3C21

HCID178468411

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1C2Cc3cc(OCc4c(F)ccc(-c5c(Cl)cccc5Cl)c4C)ccc3C21

HCID178468410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-339154682f2d4bdab1f0b3e1c137dfd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[C:6]([PH+:7]([C:8]([CH3:9])([CH3:10])[CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])([CH3:17])[CH3:18].[Cl:21][c:22]1[c:23]([B:29]([OH:30])[OH:31])[c:24]([Cl:28])[cH:25][cH:26][cH:27]1.[Cs+:20].[F-:19].[F:32][c:33]1[cH:34][cH:35][c:36]([I:57])[c:37]([CH3:56])[c:38]1[CH2:39][O:40][c:41]1[cH:42][c:43]2[c:47]([cH:48][cH:49]1)[CH:46]1[CH:45]([CH2:44]2)[CH:50]1[C:51](=[O:52])[O:53][CH2:54][CH3:55].[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:58].[Pd:59]>>[Cl:21][c:22]1[c:23](-[c:36]2[cH:35][cH:34][c:33]([F:32])[c:38]([CH2:39][O:40][c:41]3[cH:42][c:43]4[c:47]([cH:48][cH:49]3)[CH:46]3[CH:45]([CH2:44]4)[CH:50]3[C:51](=[O:52])[O:53][CH2:54][CH3:55])[c:37]2[CH3:56])[c:24]([Cl:28])[cH:25][cH:26][cH:27]1