HRID98706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(Nc2ccnn2-c2ccccc2)c(C(=O)O)c1

HCID58958619

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ccnn2-c2ccccc2)c(C(=O)NCc2ccccc2)c1

HCID58958616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-735bc6e4b3a241d797da923db97e983e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[NH2:32].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:12][c:13]2[cH:14][cH:15][n:16][n:17]2-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:7]([C:8](=[O:9])[OH:10])[cH:11]1.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[ClH:24].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:12][c:13]2[cH:14][cH:15][n:16][n:17]2-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:7]([C:8](=[O:9])[NH:32][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:11]1