HRID1218314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6871

Diethyl ethoxymethylenemalonate

C10H16O5

HCID19660

Carbonate Ion

CO3-2

HCID75057

N,N,N-Trihexyl-1-hexanaminium

C24H52N+

HCID9859097

1-Propanol, 2-[(2,3,4-trifluorophenyl)amino]-

C9H10F3NO

PRODUCTS

产物

HCID178471937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f38a1bfec5a1493b94d6a6f79f44a73a
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:30](=[O:31])([O-:32])[O-:33].[CH2:15]([O:16][CH:18]=[C:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH3:17].[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][C:63](=[O:64])[CH3:65].[Cl-:36].[F:1][c:2]1[c:3]([NH:4][CH:5]([CH2:6][OH:7])[CH3:8])[cH:9][cH:10][c:11]([F:14])[c:12]1[F:13].[K+:34].[K+:35]>>[F:1][c:2]1[c:3]([N:4]([CH:5]([CH2:6][OH:7])[CH3:8])[CH:18]=[C:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:9][cH:10][c:11]([F:14])[c:12]1[F:13]