HRID108147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734344

4-(Dimethylamino)phenylboronic acid

C8H12BNO2

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(-c3ccc(N(C)C)cc3)c2[nH]1

HCID178430105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cc9152d146f44569c9ef4ad9f2a91e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH3:32][N:33]([c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1)[CH3:43]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([N:33]([CH3:32])[CH3:43])[cH:39][cH:38]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