HRID698816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3727

Iodoacetamide

C2H4INO

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C(=O)OCc1ccccc1)C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

HCID86584872

未命名化合物

PRODUCTS

生成物

结构：CN(CC(N)=O)C1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

HCID44415988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-823f307f57ba450d9534cf292f8f1e43
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

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