HRID1151551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID93911

4-(4-Bromophenyl)piperidin-4-ol

C11H14BrNO

结构：CC(=O)NCCNc1cc(NC(=O)CBr)nc(-c2ccccc2)n1

HCID22353396

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCNc1cc(NC(=O)CN2CCC(O)(c3ccc(Br)cc3)CC2)nc(-c2ccccc2)n1

HCID22353252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca3f4476e64409ba25443107d31206e
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

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