HRID1218853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID23432

Cyclohexanamine, 2-methyl-

C7H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)O)c1N

HCID58088954

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC2CCCCC2C)c1N

HCID11749796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45638481251049acbe632eaae4f45343
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

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