HRID96675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6871

Diethyl ethoxymethylenemalonate

C10H16O5

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID9859097

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

C9H10F3NO

PRODUCTS

生成物

结构：CCOC(=O)C(=CN(c1ccc(F)c(F)c1F)C(C)CO)C(=O)OCC

HCID178471937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-965a52139194404fa9c29bfb16786b63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:17]([O:18][CH:20]=[C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:19].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[F:3][c:4]1[c:5]([NH:6][CH:7]([CH2:8][OH:9])[CH3:10])[cH:11][cH:12][c:13]([F:16])[c:14]1[F:15].[K+:2].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH-:1].[OH2:32].[S:33]([O-:34])([OH:35])(=[O:36])=[O:37]>>[F:3][c:4]1[c:5]([N:6]([CH:7]([CH2:8][OH:9])[CH3:10])[CH:20]=[C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:11][cH:12][c:13]([F:16])[c:14]1[F:15]