HRID2138965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID75269

Acetic acid, anhydride with formic acid

C3H4O3

结构：CC(C)Oc1cc(C(N)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID59458943

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(NC=O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID86613065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b50b5a691c62421db5c71858fa7c93ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:34][C:35]([O:36][C:37](=[O:38])[CH3:39])=[O:40].[CH:28](=[O:29])[O:30][C:31](=[O:32])[CH3:33].[CH:41]([OH:42])=[O:43].[Cl:44][CH2:45][Cl:46].[F:1][c:2]1[c:3]([O:24][CH:25]([CH3:26])[CH3:27])[cH:4][c:5]([CH:8]([NH2:9])[c:10]2[cH:11][c:12]([F:23])[cH:13][c:14]([O:16][C:17]([CH:18]([F:19])[F:20])([F:21])[F:22])[cH:15]2)[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([O:24][CH:25]([CH3:26])[CH3:27])[cH:4][c:5]([CH:8]([NH:9][CH:28]=[O:29])[c:10]2[cH:11][c:12]([F:23])[cH:13][c:14]([O:16][C:17]([CH:18]([F:19])[F:20])([F:21])[F:22])[cH:15]2)[cH:6][cH:7]1