HRID2127251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID76820

1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)

C16H15ClF2

HCID16757254

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID22048974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32daab5ff33f4e1e9b729aa1a002eaf8
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

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