HRID2328271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6115

Aniline

C6H7N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4327891

Pentafluorophenyl trifluoroacetate

C8F8O2

结构：O=C(O)Cn1cc(Nc2ncnc3cc(OCCCCl)ccc23)cn1

HCID68638745

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1cc(Nc2ncnc3cc(OCCCCl)ccc23)cn1)Nc1ccccc1

HCID68638800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e1cc61d56f64ab8a08f81b6c5688d37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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