HRID1145464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID21914476

tert-Butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate

C13H19BrN4O2

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)N1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1

HCID69894809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef604db9dee448a2b2c497fd4c8d2342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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