HRID97815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6119

2-Methylalanine

C4H9NO2

结构：O=Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1

HCID86648159

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1)C(=O)O

HCID59604115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beca41ed2be14cf18bc2161a77a8bcd7
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

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