HRID114705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：Cc1ccc(N)c(Cl)c1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505706

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8962dc7b4104227a1f0cb01f8a5401e
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

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