HRID88501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID19660

Carbonate

CO3-2

HCID723833

4-(N-Boc-amino)piperidine

C10H20N2O2

HCID15075480

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(CCc2coc3ccccc23)CC1

HCID69491289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-076992d7b85047eca3d1532bd955638a
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

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