HRID137318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID280

Carbon dioxide

CO2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

结构：CCOC(=O)C=CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

HCID53708236

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=CC=CC(CC(C)N(C)C)(c1ccccc1)c1ccccc1

HCID53958373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30660538512f429d9f45297592dbd446
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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