HRID182589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID720669

5-Aminophthalide

C8H7NO2

结构：O=C(O)C(=O)CC1(c2cc(C(F)(F)F)ccc2F)CC1

HCID68841516

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1(c2cc(C(F)(F)F)ccc2F)CC1)C(=O)Nc1ccc2c(c1)COC2=O

HCID68871207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-341a22482b814d62a439b8209b7b11bc
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

[CH3:37][C:38]([N:39]([CH3:40])[CH3:41])=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[ClH:36].[F:5][c:6]1[c:7]([C:16]2([CH2:19][C:20]([C:21](=[O:22])[OH:23])=[O:24])[CH2:17][CH2:18]2)[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1.[NH2:25][c:26]1[cH:27][c:28]2[c:33]([cH:34][cH:35]1)[C:31](=[O:32])[O:30][CH2:29]2.[S:1]([Cl:2])([Cl:3])=[O:4]>>[F:5][c:6]1[c:7]([C:16]2([CH2:19][C:20]([C:21](=[O:22])[NH:25][c:26]3[cH:27][c:28]4[c:33]([cH:34][cH:35]3)[C:31](=[O:32])[O:30][CH2:29]4)=[O:24])[CH2:17][CH2:18]2)[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1