HRID98122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

结构：Fc1ccc(CCN2CCC(N3CCc4ccc(Br)cc43)CC2)cc1

HCID22037889

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

HCID22038117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adf7602ee74a4be3bd61c3575aa77d1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:31][C:32](=[O:33])[N:34]([CH3:35])[CH3:36].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl-:37].[F:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[CH2:20][CH2:21][c:22]4[cH:23][cH:24][c:25]([Br:28])[cH:26][c:27]43)[CH2:17][CH2:18]2)[cH:29][cH:30]1.[NH4+:38].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[F:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[CH2:20][CH2:21][c:22]4[cH:23][cH:24][c:25]([C:32]([CH3:31])=[O:33])[cH:26][c:27]43)[CH2:17][CH2:18]2)[cH:29][cH:30]1