HRID211312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7628

Boric acid (H3BO3)

H3BO3

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8470

Trimethyl borate

C3H9BO3

HCID19660

Carbonate

CO3-2

HCID24841

Hydrogen iodide

HCID521008

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

HCID566097

4-Pentylcyclohexanone

C11H20O

HCID18348275

未命名化合物

HCID178418339

未命名化合物

HCID178505931

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

HCID14985185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dce946de298943e39a8ff1f19515d2f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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