HRID670249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3016232

4'-Fluoro-4-iodobutyrophenone

C10H10FIO

HCID13059434

1-Oxa-4,9-diazaspiro[5.5]undecan-3-one

C8H14N2O2

PRODUCTS

生成物

结构：O=C1COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)CN1

HCID13061737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d674122f1ff4586affa97ce50dc2626
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[I:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1.[O:1]1[CH2:2][C:3](=[O:12])[NH:4][CH2:5][C:6]12[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]2.[OH2:26]>>[O:1]1[CH2:2][C:3](=[O:12])[NH:4][CH2:5][C:6]12[CH2:7][CH2:8][N:9]([CH2:14][CH2:15][CH2:16][C:17](=[O:18])[c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[CH2:10][CH2:11]2