HRID298666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID12680056

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：O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1

HCID24965141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a375b9c89334399ab72a8d128c023bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[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].[n:26]1[n:27][c:28]([NH:32][C:33]([O:34][CH2:36][CH3:37])=[O:35])[cH:29][cH:30][cH:31]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][N:16]([C:33]([NH:32][c:28]4[n:27][n:26][cH:31][cH:30][cH:29]4)=[O:34])[CH2:17][CH2:18]3)[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)([F:24])[F:25]