HRID675660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cn2)CC1

HCID21914479

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1

HCID69850026

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cn2)CC1

HCID69896668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30eac11cc73e4a47a004fd9530dc96b6
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

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