HRID1205390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734671

3,4,5-Trifluorophenylboronic acid

C6H4BF3O2

结构：CC1CN(c2ncccc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1

HCID178430103

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ncccc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1

HCID178430106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02185549cef34a4aa130c22d306a69ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:27])[CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]1)[n:10]2.[F:32][c:33]1[cH:34][c:35]([B:41]([OH:42])[OH:43])[cH:36][c:37]([F:40])[c:38]1[F:39]>>[c:2]1(-[c:35]2[cH:34][c:33]([F:32])[c:38]([F:39])[c:37]([F:40])[cH:36]2)[cH:3][c:4]([C:28]([F:29])([F:30])[F:31])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:27])[CH2:13][N:14]([c:17]3[n:18][cH:19][cH:20][cH:21][c:22]3[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]1)[n:10]2