HRID2152527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID6331

Borane

H3B

HCID8471

Triethylamine

C6H15N

HCID66782702

未命名化合物

结构：CC(C)(C)OC(=O)CCN(CC=O)C(=O)OCc1ccccc1

HCID86638105

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCOCc1ccccc1)NCCN(CCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

HCID67074628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30a722ad7bf49b3987eaec4ae8f3b67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH3:48].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH:11]=[O:12])[C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH2:55]([OH:56])[CH3:57].[CH3:24][O:25][C:26]([CH:27]([CH2:28][CH2:29][O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH2:38])=[O:39].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:62][C:63](=[O:64])[OH:65].[Cl:58][CH2:59][CH2:60][Cl:61].[ClH:40].[n:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][N:9]([CH2:10][CH2:11][NH:38][CH:27]([C:26]([O:25][CH3:24])=[O:39])[CH2:28][CH2:29][O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]