HRID1146760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnn1C

HCID21867455

1-Methyl-5-(tributylstannyl)-1H-pyrazole

C16H32N2Sn

结构：CC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(O)(c2ccc(Br)cc2)C(F)F)n1

HCID68668368

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1ccc(C(O)(Cc2nc(CC(C)(C)C)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)C(F)F)cc1

HCID68668109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b7f890ca6fa4f74a9caa3b72b0a6285
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:20][c:21]1[cH:22][cH:23][c:24]([C:27]([CH:28]([F:29])[F:30])([CH2:31][c:32]2[n:33]([C:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:34][c:35]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:36]2)[OH:61])[cH:25][cH:26]1.[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[Sn:7]([CH2:8][CH2:9][CH2:10][CH3:11])([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH2:18][CH3:19].[Cs+:63].[F-:62].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:21]1[cH:22][cH:23][c:24]([C:27]([CH:28]([F:29])[F:30])([CH2:31][c:32]2[n:33]([C:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:34][c:35]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:36]2)[OH:61])[cH:25][cH:26]1