HRID811853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID4060964

未命名化合物

HCID4341744

3-methoxypiperidine

C6H13NO

HCID4574913

未命名化合物

结构：CCC1(CC)CCC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID59769421

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC)CCC(c2cc(N3CCCC(OC)C3)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID69220334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a15546ddfa3c4f32b950190b067cc13f
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-:46]([F:47])([F:48])([F:49])[F:50].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][CH2:23][C:24]([CH2:27][CH3:28])([CH2:29][CH3:30])[CH2:25][CH2:26]3)[cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:51]([PH+:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])([CH3:61])([CH3:62])[CH3:63].[CH3:32][O:33][CH:34]1[CH2:35][NH:36][CH2:37][CH2:38][CH2:39]1.[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[ClH:31].[Na+:45].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64].[c:73]1([CH3:74])[c:75]([CH3:76])[cH:77][cH:78][cH:79][cH:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][CH2:23][C:24]([CH2:27][CH3:28])([CH2:29][CH3:30])[CH2:25][CH2:26]3)[cH:16][c:17]([N:36]3[CH2:35][CH:34]([O:33][CH3:32])[CH2:39][CH2:38][CH2:37]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1