HRID158801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID88317

5-Amino-3,4-dimethylisoxazole

C5H8N2O

HCID53485970

未命名化合物

结构：FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)cc1

HCID66875733

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cc4)c3)CC2)c1C

HCID24965142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-543148c46146494482c52822acdb6f1a
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

[CH3:26][c:27]1[n:28][o:29][c:30]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[c:31]1[CH3:32].[CH3:60][C:61]#[N:62].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[ClH:1].[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([CH:12]=[C:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)([F:24])[F:25].[NH2:43][c:44]1[o:45][n:46][c:47]([CH3:48])[c:49]1[CH3:50]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([CH:12]=[C:13]3[CH2:14][CH2:15][N:16]([C:34]([NH:33][c:30]4[o:29][n:28][c:27]([CH3:26])[c:31]4[CH3:32])=[O:35])[CH2:17][CH2:18]3)[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)([F:24])[F:25]