HRID165322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID69236

未命名化合物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID12132974

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)NC(=O)c1cccc2c3c([nH]c12)CCC3

HCID178472064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eae688bac5944432bd51bf1ad630e390
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

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