HRID1561752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID19024

3-Methyl-2-phenylbutanoic acid

C11H14O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID42614534

2-Benzyloctahydrocyclopenta[c]pyrrol-4-amine

C14H20N2

PRODUCTS

生成物

结构：CC(C)C(C(=O)NC1CCC2CN(Cc3ccccc3)CC21)c1ccccc1

HCID68412514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91a2ff059ccb4b439784bdd7ec9cf698
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

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