HRID1556292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID3732740

4-(4-Methoxy-benzyl)-piperidine

C13H19NO

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

HCID11256532

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC2CCN(CC(=O)Nc3cc(NCCNC(C)=O)nc(-c4ccccc4)n3)CC2)cc1

HCID22353522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e72ae6e999d4a55ace85adb7a84caf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[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][Cl:23])=[O:24])[n:11][c:12](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[n:13]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:38][cH:39]1.[CH3:54][C:55]#[N:56].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[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][CH:32]([CH2:31][c:30]3[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:39][cH:38]3)[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