HRID1559183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：CC(OC1CN(C(=O)OC(C)(C)C)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178467218

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(OC1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11327631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92c306faf2e845768c7e4312740e134e
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

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