HRID193847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID2774599

4-Fluoro-3-methylbenzylamine

C8H10FN

结构：COC(=O)c1nc2n(c(=O)c1O)CC1CCC2(N(C)C(=O)C(=O)N(C)C)CC1

HCID57905168

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(N(C)C(=O)C(=O)N(C)C)CC2)ccc1F

HCID54747151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18a504e47fab43f0a853b46628f7b586
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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