HRID1546395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)N2CCCC2C(N)=O)c1)C(F)(F)F

HCID73407119

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NCC(O)(CC(C)(C)c2cc(F)ccc2O)C(F)(F)F)c2cnn(-c3cccc(C(=O)N4CCCC4C(N)=O)c3)c2c1

HCID178428532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-726e8ea923064ea399524ecef5f90480
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[B:48]([Br:49])([Br:50])[Br:51].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([O:46][CH3:47])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:29](=[O:30])[N:31]5[CH:32]([C:33](=[O:34])[NH2:35])[CH2:36][CH2:37][CH2:38]5)[cH:26][cH:27][cH:28]4)[c:18]3[cH:19][c:20]([CH3:22])[cH:21]2)([C:39]([F:40])([F:41])[F:42])[OH:43])([CH3:44])[CH3:45])[cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([OH:46])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:29](=[O:30])[N:31]5[CH:32]([C:33](=[O:34])[NH2:35])[CH2:36][CH2:37][CH2:38]5)[cH:26][cH:27][cH:28]4)[c:18]3[cH:19][c:20]([CH3:22])[cH:21]2)([C:39]([F:40])([F:41])[F:42])[OH:43])([CH3:44])[CH3:45])[cH:7]1