HRID1210325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID410488

未命名化合物

HCID178445037

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC(=O)CC(C)(C)C)C(=O)NC(CO)C(=O)OCC

HCID178445036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd939ed7a8b74d6e998c5924087b819d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:28]([CH3:29])[O:30][C:31]([CH:32]([NH2:33])[CH2:34][OH:35])=[O:36].[CH3:1][C:2]([CH2:3][C:4]([CH2:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH:11]=[CH2:12])=[O:13])([CH3:14])[CH3:15].[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:58][CH2:59][Cl:60].[ClH:27].[ClH:46].[OH2:16].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1>>[CH3:1][C:2]([CH2:3][C:4]([CH2:5][CH:6]([C:7](=[O:9])[NH:33][CH:32]([C:31]([O:30][CH2:28][CH3:29])=[O:36])[CH2:34][OH:35])[CH2:10][CH:11]=[CH2:12])=[O:13])([CH3:14])[CH3:15]