HRID126392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID69731

1-(4-(Trifluoromethyl)phenyl)ethan-1-one

C9H7F3O

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(Br)cn1

HCID68527396

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：Cc1cc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)cn1

HCID68526947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef1322f0db504e06905a2856e2177e48
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([CH3:32])[cH:11][c:12]([N:15]3[C:16](=[O:31])[N:17]([CH2:21][c:22]4[cH:23][c:24]5[c:28]([cH:29][cH:30]4)[O:27][CH2:26][O:25]5)[CH2:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:6][cH:7]1.[BrH:56].[CH3:46][Si:47]([N-:48][Si:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])[CH3:54].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1)([F:44])[F:45].[K+:55].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:120].[Pd:64].[Pd:65]>>[BrH:1].[c:2]1([CH2:42][C:41]([c:38]2[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39]2)=[O:43])[cH:3][cH:4][c:5]([O:8][c:9]2[c:10]([CH3:32])[cH:11][c:12]([N:15]3[C:16](=[O:31])[N:17]([CH2:21][c:22]4[cH:23][c:24]5[c:28]([cH:29][cH:30]4)[O:27][CH2:26][O:25]5)[CH2:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:6][cH:7]1