HRID2321334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID462074

2-(Aminooxy)ethanamine

C2H8N2O

结构：COCC1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)CC12

HCID178494444

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COCC1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=NOCCN)CC12

HCID178494443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed4be6f794b542c685ec8cb501f95ea3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]2[CH:7]3[CH2:8][CH2:9][C:10](=[O:24])[C:11]3([CH3:12])[CH2:13][CH2:14][CH:15]2[C:16]2([CH3:23])[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH:21]12.[CH3:32][CH2:33][O:34][CH2:35][CH3:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[ClH:25].[ClH:26].[NH2:27][CH2:28][CH2:29][O:30][NH2:31]>>[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]2[CH:7]3[CH2:8][CH2:9][C:10](=[O:24])[C:11]3([CH3:12])[CH2:13][CH2:14][CH:15]2[C:16]2([CH3:23])[CH2:17][CH2:18][C:19](=[N:31][O:30][CH2:29][CH2:28][NH2:27])[CH2:20][CH:21]12.[ClH:25]