HRID672806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID9526

Methyl trifluoromethanesulfonate

C2H3F3O3S

HCID22001648

未命名化合物

HCID86217852

未命名化合物

PRODUCTS

生成物

结构：CC(=Nc1ccc2c(c1)C(NC(=O)OC(C)(C)C)C(O)C2)N(C)Cc1ccc(F)c(F)c1

HCID69221258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e1e9490cd946d8b46103f59f344615
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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