查数据/反应详情

HRID1554593

反应详情

EQUATION

反应方程式

HRID 1554593 的结构方程式

REACTANTS

反应物

2

结构：CC(O)(C(=O)O)C(=O)NCC(F)(F)C(F)(F)F

未命名化合物

结构：NC1C(=O)Nc2cc(F)ccc2OC1C1CC1

未命名化合物

PRODUCTS

生成物

1

结构：CC(O)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1C(=O)Nc2cc(F)ccc2OC1C1CC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-055b4d2e9a554cc3bbe990fabaac71dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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

AIchem 开放数据计划：mail@huagongshe.com