HRID195708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID18925643

Methyl 2,4-bis(trifluoromethyl)benzoate

C10H6F6O2

HCID25158607

未命名化合物

HCID59347787

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

HCID59347826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c79a5729aedb4e5e867e5c0240a10c7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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