HRID125617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID10704

2-Methylbenzamide

C8H9NO

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

HCID16116848

未命名化合物

HCID59381900

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1C(=O)Nc1cnc(N)nc1

HCID16118606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc5d4ada0079489ba093859127e056d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[C:44]([NH2:45])=[O:46].[Cl:66][CH2:67][Cl:68].[F:53][C:54]([c:55]1[cH:56][c:57]([C:58](=[O:59])[Cl:60])[cH:61][cH:62][cH:63]1)([F:64])[F:65].[NH2:19][c:20]1[cH:21][cH:22][c:23]([CH3:24])[c:25]([C:27]([NH:28][c:29]2[cH:30][n:31][c:32]([NH2:33])[n:34][cH:35]2)=[O:36])[cH:26]1.[NH2:1][c:2]1[c:3]([CH3:18])[c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([NH2:14])[n:12][cH:13]2)[cH:15][cH:16][cH:17]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[NH:1]([c:2]1[c:3]([CH3:18])[c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([NH2:14])[n:12][cH:13]2)[cH:15][cH:16][cH:17]1)[C:58]([c:57]1[cH:56][c:55]([C:54]([F:53])([F:64])[F:65])[cH:63][cH:62][cH:61]1)=[O:59]