HRID1134532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(Br)cc43)cc2)CC1

HCID178480720

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(-c5ccc(OC(F)(F)F)cc5)cc43)cc2)CC1

HCID178480725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2aeae9d2f2249d8855651722787c02c
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

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]2)[cH:20][cH:21]1.[C:43]([P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])([CH3:54])[CH3:55].[C:56](=[O:57])([O-:58])[O-:59].[CH:62]([Cl:63])([Cl:64])[Cl:65].[Cs+:60].[Cs+:61].[F:29][C:30]([O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1)([F:41])[F:42].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]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:66].[Pd:67]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][C:30]([F:29])([F:41])[F:42])[cH:37][cH:36]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][C:6](=[O:13])[C:5]2=[CH:14][NH:15][c:16]1[cH:17][cH:18][c:19]([N:22]2[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]2)[cH:20][cH:21]1