HRID199343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6385

tert-Butylamine

C4H11N

HCID6422

未命名化合物

结构：CNC(=O)c1c(-c2ccc(F)cc2)sc2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59233847

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)sc2ccc(-c3cccc(C(=O)NC(C)(C)C)c3)cc12

HCID59233713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b8c49e61ea546c8abbbb25aed5a028b
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

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