HRID1573943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID7268

Diethyl oxalate

C6H10O4

HCID3826051

未命名化合物

结构：CN1C(=O)CCC2(C)C1=CCC1C3CCC(=O)C3(C)CCC12

HCID13870405

未命名化合物

PRODUCTS

生成物

结构：C=CCC1CC2C3CC=C4N(C)C(=O)CCC4(C)C3CCC2(C)C1=O

HCID178438351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-321cca4a2a8c48c89b549ac2f2c66293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:23]([O:24][CH2:31][CH3:32])(=[O:25])[C:26]([O:27][CH2:28][CH3:29])=[O:30].[CH3:1][N:2]1[C:3]2=[CH:4][CH2:5][CH:6]3[CH:7]4[CH2:8][CH2:9][C:10](=[O:22])[C:11]4([CH3:12])[CH2:13][CH2:14][CH:15]3[C:16]2([CH3:21])[CH2:17][CH2:18][C:19]1=[O:20].[CH3:33][O-:34].[CH3:36][I:37].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][OH:46].[Cl:38][CH2:39][Cl:40].[Na+:35]>>[CH3:1][N:2]1[C:3]2=[CH:4][CH2:5][CH:6]3[CH:7]4[CH2:8][CH:9]([CH2:33][CH:31]=[CH2:32])[C:10](=[O:22])[C:11]4([CH3:12])[CH2:13][CH2:14][CH:15]3[C:16]2([CH3:21])[CH2:17][CH2:18][C:19]1=[O:20]