HRID833903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID4060964

未命名化合物

HCID11218053

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyran

C11H19BO3

结构：CC(C)(C)OC(=O)N1CCC(c2nc(I)cn2CCN2CCCC2)CC1

HCID67112018

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C3=CCOCC3)cn2CCN2CCCC2)CC1

HCID67112253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0509c286ba1a42b6ad8890259b026b10
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B-:48]([F:49])([F:50])([F:51])[F:52].[C:53]([PH+:54]([C:55]([CH3:56])([CH3:57])[CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])([CH3:63])([CH3:64])[CH3:65].[CH3:67][O:68][C:69]([CH3:70])([CH3:71])[CH3:72].[CH3:82][S:83](=[O:84])[CH3:85].[I:16][c:17]1[n:18][c:19]([CH:29]2[CH2:30][CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]2)[n:20]([CH2:22][CH2:23][N:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:21]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[O:1]1[CH2:2][CH2:3][C:4]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)=[CH:5][CH2:6]1.[OH2:66].[Pd+2:73]>>[O:1]1[CH2:2][CH2:3][C:4]([c:17]2[n:18][c:19]([CH:29]3[CH2:30][CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]3)[n:20]([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:21]2)=[CH:5][CH2:6]1