HRID202545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID25134

Boron tribromide

BBr3

结构：COc1cccc(CC2CN(S(=O)(=O)c3cccs3)CCN2c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1

HCID86670396

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(Cc2cccc(O)c2)C1

HCID76321959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e921cf7dd4de4d718d9d6654689f2259
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

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