HRID89752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID78766

3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione

C10H9ClN2O2

HCID4778266

(4-fluorophenyl)(piperidin-4-yl)methanol

C12H16FNO

PRODUCTS

生成物

HCID176

Acetic Acid

C2H4O2

结构：O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(C(O)c2ccc(F)cc2)CC1

HCID156394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74eee675391c4357bc054440314b634b
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:16]([CH3:17])(=[O:18])[OH:19].[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][n:4]1[c:5](=[O:15])[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1=[O:14].[F:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([OH:28])[CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[C:16]([CH3:17])(=[O:18])[OH:19].[CH2:2]([CH2:3][n:4]1[c:5](=[O:15])[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1=[O:14])[N:32]1[CH2:31][CH2:30][CH:29]([CH:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)[OH:28])[CH2:34][CH2:33]1