HRID691932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

HCID4574913

未命名化合物

结构：COc1ccc(COc2ccc(C3=NCC(=O)N(C)c4ccc(Cl)cc43)cc2)cc1

HCID59594389

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2ccc(C3=NC(Cc4ccc(C(F)(F)F)cc4)C(=O)N(C)c4ccc(Cl)cc43)cc2)cc1

HCID59594382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b2a71dd7e5343408bbb1c2928fd1f1a
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

[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[N:6]([CH3:28])[C:7](=[O:27])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:15][cH:16]1.[F:37][C:38]([c:39]1[cH:40][cH:41][c:42]([CH2:43][Br:44])[cH:45][cH:46]1)([F:47])[F:48].[K+:36].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[N:6]([CH3:28])[C:7](=[O:27])[CH:8]([CH2:43][c:42]1[cH:41][cH:40][c:39]([C:38]([F:37])([F:47])[F:48])[cH:46][cH:45]1)[N:9]=[C:10]2[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:15][cH:16]1