HRID179767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID166653

Hydride

H-

结构：O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)C(O)C=CC1N2Cc1ccccc1

HCID69890683

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C=CC1N2Cc1ccccc1

HCID87950938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6ea74d96a194595b0cc56a53e027359
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH:12]([OH:27])[CH:13]=[CH:14][CH:15]1[CH:16]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:17]2.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[F:34][C:35]([c:36]1[cH:37][c:38]([CH2:39][Br:40])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[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:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH:12]([O:27][CH2:39][c:38]3[cH:37][c:36]([C:35]([F:34])([F:48])[F:49])[cH:43][c:42]([C:44]([F:45])([F:46])[F:47])[cH:41]3)[CH:13]=[CH:14][CH:15]1[CH:16]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:17]2