HRID303244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15381

1-Azabicyclo[2.2.2]octan-3-ol

C7H13NO

HCID15908

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

C8H17N3

结构：Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc2cn[nH]c12

HCID21102025

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CN3CCC2CC3)cc2cn[nH]c12

HCID11478806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f7930dacfb45afabf187e860814204
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:35])[NH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[CH2:34]3)[CH2:23][CH2:24]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12.[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[N:47]12[CH2:48][CH:49]([OH:55])[CH:50]([CH2:51][CH2:52]1)[CH2:53][CH2:54]2>>[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13]([O:14][CH:49]2[CH2:48][N:47]3[CH2:52][CH2:51][CH:50]2[CH2:53][CH2:54]3)=[O:15])[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:35])[NH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[CH2:34]3)[CH2:23][CH2:24]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12