HRID168288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID72864

Ethanone, 1-(2-chlorophenyl)-

C8H7ClO

HCID5062348

未命名化合物

结构：CON(C)C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1

HCID86601237

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1)c1ccccc1Cl

HCID86601249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d1ab7adae054bfd959780855beb2ab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:19][O:20][N:21]([C:22](=[O:23])[c:24]1[n:25][n:26][n:27]([CH2:35][c:36]2[cH:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]2)[c:28]1-[c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)[CH3:50].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:9][c:10]1[c:11]([C:16]([CH3:17])=[O:18])[cH:12][cH:13][cH:14][cH:15]1.[ClH:51].[Li+:8]>>[Cl:9][c:10]1[c:11]([C:16]([CH2:17][C:22](=[O:23])[c:24]2[n:25][n:26][n:27]([CH2:35][c:36]3[cH:37][c:38]([C:46]([F:47])([F:48])[F:49])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]3)[c:28]2-[c:29]2[cH:30][n:31][cH:32][cH:33][cH:34]2)=[O:18])[cH:12][cH:13][cH:14][cH:15]1