HRID120726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID2759214

4'-Formyl-biphenyl-4-carbonitrile

C14H9NO

HCID22000878

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC1COC(c2ccc(-c3ccc(C#N)cc3)cc2)OC1C

HCID22406198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b92c0a84ce7b4c0b9704699534e20d45
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

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