HRID2350128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Br)nn(COCC[Si](C)(C)C)c12

HCID57546087

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(C3CC3)nn(COCC[Si](C)(C)C)c12

HCID57546246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8041542e4c5744368ffad6135c33cd57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[n:3][n:4]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[c:5]2[c:6]([CH:12]([CH3:13])[O:14][CH2:15][C:16]3([c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:7][c:8]([Cl:11])[cH:9][c:10]12.[CH:44]1([B:47]([OH:48])[OH:49])[CH2:45][CH2:46]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[Pd:55].[c:113]1([P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128][cH:129][cH:130][cH:131]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[c:2]1([CH:44]2[CH2:45][CH2:46]2)[n:3][n:4]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[c:5]2[c:6]([CH:12]([CH3:13])[O:14][CH2:15][C:16]3([c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:7][c:8]([Cl:11])[cH:9][c:10]12