HRID124031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24689891

4-(Aminomethyl)-N-(2,2,2-trifluoroethyl)benzamide

C10H11F3N2O

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(F)(F)F)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

HCID86629617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0ef5d5cbf93424b9963059451acf54e
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

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