HRID2335331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID604961

未命名化合物

结构：NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1

HCID59134573

未命名化合物

PRODUCTS

生成物

结构：COC(C(=O)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)(c1ccccc1)C(F)(F)F

HCID73318923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15c0b765f5b24fbfaf927f152d090bda
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

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