HRID2150236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID10956204

未命名化合物

HCID18185377

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(N2CCOCC2)cc1Oc1ccccc1

HCID9807285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eeec6d5b023420da55427b98e75592b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[Cl-:40].[Cl:51][CH2:52][Cl:53].[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:28][NH:29][CH3:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[NH4+:41].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[c:14]([O:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15]2)[CH2:5][CH2:6]1.[OH2:54]>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][cH:9][c:10]([C:11](=[O:13])[N:29]([CH2:28][c:27]3[cH:26][c:25]([C:24]([F:23])([F:38])[F:39])[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]3)[CH3:30])[c:14]([O:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15]2)[CH2:5][CH2:6]1