HRID1559851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20522

Phenethyl tosylate

C15H16O3S

HCID123062

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

C8H6BrF3

HCID58031554

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1sc(N2CCN(CCc3ccccc3)C2=O)cc1C

HCID58031586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04925589beff45c98352d97aa7b449aa
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

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