HRID102909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID12313490

3-azabicyclo[3.2.1]octane

C7H13N

HCID18458685

1-Pyrrolidinecarboxylic acid, 2-[[(5-bromo-3-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester

C15H21BrN2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1cncc(N2CC3CCC(C3)C2)c1

HCID72273046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-777e06dd7ceb4b02b0b8e8f969a0dad6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:35][c:36]1[cH:37][n:38][cH:39][c:40]([O:42][CH2:43][CH:44]2[N:45]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:46][CH2:47][CH2:48]2)[cH:41]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([CH:17]([CH3:18])[CH3:19])[cH:20][c:21]([CH:22]([CH3:23])[CH3:24])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[CH:57]12[CH2:58][NH:59][CH2:60][CH:61]([CH2:62][CH2:63]1)[CH2:64]2.[ClH:56].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[OH2:72].[Pd:71]>>[c:36]1([N:59]2[CH2:58][CH:57]3[CH2:63][CH2:62][CH:61]([CH2:60]2)[CH2:64]3)[cH:37][n:38][cH:39][c:40]([O:42][CH2:43][CH:44]2[N:45]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:46][CH2:47][CH2:48]2)[cH:41]1