HRID215320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6871

Diethyl ethoxymethylenemalonate

C10H16O5

HCID75057

N,N,N-Trihexyl-1-hexanaminium

C24H52N+

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-3d53d69142314c03804ebf66334741a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Cl-:33].[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:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH-:1].[OH2:32]>>[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]