HRID1131168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)S(=O)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID77171768

未命名化合物

PRODUCTS

生成物

结构：NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID59134573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-502692017d834058b1be1c31651e2518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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