HRID151886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID14668531

未命名化合物

结构：O=C(NCCCCCCCCc1ccccc1)c1cc(Br)c(O)c(-c2cccc(C(F)(F)F)c2)c1

HCID53899906

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCCCCCCc1ccccc1)c1cc(Br)c(OS(=O)(=O)c2ccc(C(=O)O)c(O)c2)c(-c2cccc(C(F)(F)F)c2)c1

HCID9896871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8dc22aaa41b3410e9bea25de9129f9e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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