HRID91059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID4641692

6-Methoxy-2-naphthaleneboronic acid

C11H11BO3

结构：CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2OS(=O)(=O)C(F)(F)F)cc1

HCID87418503

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC)ccc3c2)cc1

HCID67487130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-910322f0d42245eabf699bf69ea47f28
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

[CH2:57]([CH2:58][O:59][CH3:60])[O:61][CH3:62].[CH3:35][O:36][c:37]1[cH:38][c:39]2[cH:40][cH:41][c:42]([B:47]([OH:48])[OH:49])[cH:43][c:44]2[cH:45][cH:46]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([CH:22]([CH3:23])[c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33][cH:34]3)[c:12]([O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])[cH:13]2)[cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([CH:22]([CH3:23])[c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:33][cH:34]3)[c:12](-[c:42]3[cH:41][cH:40][c:39]4[cH:38][c:37]([O:36][CH3:35])[cH:46][cH:45][c:44]4[cH:43]3)[cH:13]2)[cH:5][c:6]([Cl:8])[cH:7]1