HRID111870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)C1CC2(c3ccccc3)C(O)CCC1N2Cc1ccccc1

HCID69685614

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1

HCID88038988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6625dc25350b4849b24bf9ee180fd130
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

[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[C:11]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH:12]([OH:25])[CH2:13][CH2:14][CH:15]1[CH:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17]2.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:32][C:33]([c:34]1[cH:35][c:36]([CH2:37][Br:38])[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[H-:1].[Na+:2]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[C:11]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH:12]([O:25][CH2:37][c:36]3[cH:35][c:34]([C:33]([F:32])([F:46])[F:47])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]3)[CH2:13][CH2:14][CH:15]1[CH:16]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17]2