HRID189703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID166653

Hydride

H-

HCID174766

2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-

C17H24O2

HCID241438

Diethyl (4-Cyanobenzyl)phosphonate

C12H16NO3P

PRODUCTS

生成物

结构：COc1c(C=Cc2ccc(C#N)cc2)c(C)cc2c1C(C)(C)CCC2(C)C

HCID70389185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3e39bc5ac5f4e87b9970c2488a453ed
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][P:8](=[O:9])([O:10][CH2:11][CH3:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17]1.[CH3:40][S:41](=[O:42])[CH3:43].[CH:20](=[O:21])[c:22]1[c:23]([O:37][CH3:38])[c:24]2[c:29]([cH:30][c:31]1[CH3:32])[C:28]([CH3:33])([CH3:34])[CH2:27][CH2:26][C:25]2([CH3:35])[CH3:36].[ClH:39].[H-:18].[Na+:19].[OH2:44]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:20][c:22]2[c:23]([O:37][CH3:38])[c:24]3[c:29]([cH:30][c:31]2[CH3:32])[C:28]([CH3:33])([CH3:34])[CH2:27][CH2:26][C:25]3([CH3:35])[CH3:36])[cH:16][cH:17]1