HRID1535099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16666328

5-Fluoro-2,3-dihydro-1H-inden-1-amine

C9H10FN

HCID18543184

(-)-3-Chloro-4-fluoro-α-methylbenzenemethanamine

C8H9ClFN

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：CC(Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)c1ccc(F)c(Cl)c1

HCID86629626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1782a88f64ce47e4a4d4e9926bac79dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[Cl:27][c:28]1[cH:29][c:30]([CH:35]([CH3:36])[NH2:37])[cH:31][cH:32][c:33]1[F:34].[F:38][c:39]1[cH:40][c:41]2[c:42]([cH:43][cH:44]1)[CH:45]([NH2:46])[CH2:47][CH2:48]2>>[Cl:1][c:2]1[c:3]([NH:37][CH:35]([c:30]2[cH:29][c:28]([Cl:27])[c:33]([F:34])[cH:32][cH:31]2)[CH3:36])[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