HRID669079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16843

Trifluoroiodomethane

CF3I

HCID23994

Zinc

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C=O)c1C(=O)OCC

HCID23070982

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(O)C(F)(F)F)c1C(=O)OCC

HCID23070686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b46a151ab4b409aac06ecc3173b8b3e
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

[CH2:11]([C:12]#[C:13][CH3:14])[n:15]1[c:16]([N:27]2[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]2)[n:17][c:18]([CH:25]=[O:26])[c:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:40].[F:6][C:7]([F:8])([F:9])[I:10].[NH4+:41].[Zn:42]>>[F:6][C:7]([F:8])([F:9])[CH:25]([c:18]1[n:17][c:16]([N:27]2[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]2)[n:15]([CH2:11][C:12]#[C:13][CH3:14])[c:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24])[OH:26]