HRID175848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：ClCCOc1cccc2c1c1cccc3c1n2C(c1ccccc1)CO3

HCID12148636

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCOc2cccc3c2c2cccc4c2n3C(c2ccccc2)CO4)CC1

HCID9849326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3996c58c6584819885547fd752fb22a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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