HRID1150316

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID44630024

未命名化合物

HCID45123296

3,4-Diamino-1-methyl-1,8-naphthyridin-2(1H)-one

C9H10N4O

PRODUCTS

生成物

结构：Cn1c(=O)c(NC(=O)C2CCCC(NC(=O)OCc3ccccc3)C2)c(N)c2cccnc21

HCID45123295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5763e6c7777447229e6bae3b88bb0e77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][CH2:17]1.[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[NH2:31][c:32]1[c:33](=[O:44])[n:34]([CH3:43])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[c:41]1[NH2:42].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH:14]([C:18](=[O:20])[NH:31][c:32]2[c:33](=[O:44])[n:34]([CH3:43])[c:35]3[n:36][cH:37][cH:38][cH:39][c:40]3[c:41]2[NH2:42])[CH2:15][CH2:16][CH2:17]1