HRID187018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID22506610

{4-[(Dimethylamino)methyl]phenyl}boronic acid

C9H14BNO2

结构：COc1ccc(CNc2ncc(C#N)c3sc4cc(Br)ccc4c23)cc1

HCID59198465

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ncc(C#N)c3sc4cc(-c5ccc(CN(C)C)cc5)ccc4c23)cc1

HCID59198443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f37514459d4d62b971144780c37a3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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