HRID2319970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID13289488

1-[4-(2-Chloroethyl)piperazin-1-yl]ethan-1-one

C8H15ClN2O

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1O

HCID135530832

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCN1CCN(C(C)=O)CC1

HCID11752254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-54eba74a1b1f4923ae6a318d89468988
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

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