HRID1203771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID263

1-Butanol

C4H10O

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID11503

N-Methylphenethylamine

C9H13N

HCID19660

Carbonate

CO3-2

结构：O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(Cl)nn2)CC1

HCID86024941

未命名化合物

PRODUCTS

生成物

结构：CN(CCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID11167288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faa3f5f6a18543459480dc0f1850ed0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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