HRID163327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID954258

4-Iodobenzyl bromide

C7H6BrI

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCC(O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl

HCID25062865

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCC(OCc2ccc(I)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl

HCID25062867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-942fe3c7828e42d5a0408e236e145b98
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

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