HRID297169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9550

Diazomethane

CH2N2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

HCID268471

未命名化合物

HCID545705

tert-Butyl (1-oxopropan-2-yl)carbamate

C8H15NO3

HCID545713

未命名化合物

HCID16686348

未命名化合物

HCID20271931

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID31160

1-Methyl-3-phenylpropylamine

C10H15N

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dd845ca8d5bb4ed7a0001ba55c71dc2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:1]([O:2][C:3]([NH:4][CH:5]([C:6]([OH:7])=[O:8])[CH3:9])=[O:10])([CH3:11])([CH3:12])[CH3:13].[C:41]([O:42][C:43]([NH:44][CH:45]([CH:46]=[O:47])[CH3:48])=[O:49])([CH3:50])([CH3:51])[CH3:52].[C:54]([O:55][C:56](=[O:57])[NH:61][CH:62]([CH2:63][CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH3:71])([CH3:58])([CH3:59])[CH3:60].[CH2:32]([Al+:33][CH2:34][CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40].[CH3:17][O:18][C:19](=[O:20])[CH:21]([CH3:22])[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30].[ClH:53].[H-:31].[N+:14](=[CH2:15])=[N-:16].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[Pd:72]>>[ClH:53].[NH2:61][CH:62]([CH2:63][CH2:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH3:71]