HRID1208705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1061

Phosphate

O4P-3

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID3839223

Hydroxy(phenyl)acetate

C8H7O3-

结构：CC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C

HCID9927971

2-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenol

C22H31NO2

PRODUCTS

生成物

HCID18357317

3-{3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-hydroxybenzaldehyde

C22H29NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-907f69ce5e2b4817a7ee655f44343103
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

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