HRID1217883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID66878349

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(=O)NC(C)(C)C(F)(F)F)c2)CC1

HCID86635136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fc347e84cec4185a00e56fa14a47f88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1.[I-:33].[N:19]1([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[Na+:32].[OH2:41]>>[CH2:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1)[N:22]1[CH2:21][CH2:20][N:19]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:24][CH2:23]1