HRID1236850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CC1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1

HCID178430125

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)c2[nH]1

HCID178430127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86cf9f46c1624297a2e117e635f1c644
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:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[c:18]([Cl:25])[cH:19][c:20]([CH2:23][OH:24])[cH:21][n:22]3)[CH2:15][CH2:16]1)[n:10]2.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1)([F:42])[F:43]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37]2)[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[c:7]1[nH:8][c:9]([N:11]1[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[c:18]([Cl:25])[cH:19][c:20]([CH2:23][OH:24])[cH:21][n:22]3)[CH2:15][CH2:16]1)[n:10]2