HRID120396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8076

2-Ethoxyethanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID12884774

1-Chloro-2,6-naphthyridine

C8H5ClN2

结构：COC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

HCID22227788

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Nc2nccc3cnccc23)cc1)NC(=O)OC(C)(C)C

HCID69376818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77e15e09633b4701b95b14f37099f9e9
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

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