查数据/反应详情

HRID190871

反应详情

EQUATION

反应方程式

HRID 190871 的结构方程式

REACTANTS

反应物

2

结构：CC(C)CN

Isobutylamine

C4H11N

结构：CC1(C)OC(C)(C)c2c1sc(NC(=O)c1c(F)cccc1C(F)(F)F)c2C(=O)O

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)CNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C(C)(C)OC2(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76b4a535334b417db60cc9e3e5206a9f
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

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

AIchem 开放数据计划：mail@huagongshe.com