HRID664837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID9947974

2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

C19H14FNO

HCID178449162

未命名化合物

PRODUCTS

生成物

结构：N#CC=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID53395030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b88fab68740a4228abd248cf2c877c23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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