HRID147722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID77614

1-(Aminomethyl)cyclohexan-1-ol

C7H15NO

HCID67537219

未命名化合物

PRODUCTS

生成物

结构：O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCCC1

HCID59396249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91ec4be64b2f4db180875007233d917c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:21](=[O:22])([O-:23])[O-:24].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:37][C:38]#[N:39].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1.[ClH:27].[I-:40].[K+:25].[K+:26].[NH2:28][CH2:29][C:30]1([OH:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1)[NH:28][CH2:29][C:30]1([OH:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1