HRID696143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

HCID603866

4'-Bromo-2,2,2-trifluoroacetophenone

C8H4BrF3O

结构：COc1ccccc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID69230022

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20822f814ba94fad98fbd57e127b5945
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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