HRID1544744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID7237

o-Xylene

C8H10

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID4060964

未命名化合物

HCID4341744

3-methoxypiperidine

C6H13NO

结构：CCCCN1CCN(c2ccc(Br)cc2C2CCC(C)(C)CC2)CC1

HCID23141738

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCN(c2ccc(N3CCCC(OC)C3)cc2C2CCC(C)(C)CC2)CC1

HCID23141558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e2f92c554a74e708f80f7be538df167
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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