HRID98520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

HCID6342

Acetonitrile

C2H3N

结构：CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(Cl)c4)cc3C2)c1

HCID58902300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N5CCNCC5)c4)cc3C2)c1

HCID58902297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3decd740f7cd4e22946eea5aeda577bb
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

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