HRID300613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID64796

Hydrocarbostyril

C9H9NO

HCID166653

Hydride

H-

结构：CC(C)(C)c1nc(N2CCN(CCCCl)CC2)cc(C(F)(F)F)n1

HCID22349855

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CC(C)(C)c1nc(N2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1

HCID178441795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4281aeb9370346f1ba235d0ec9489da0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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