HRID2319675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID73784

Cyclopentane, iodo-

C5H9I

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1

HCID25160740

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1

HCID25160863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-996e3e46c47843a3b1ab5dbff4102bcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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