HRID119540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCNCC1Cc1c[nH]c2ccccc12

HCID22342889

1,1-Dimethylethyl 2-(1H-indol-3-ylmethyl)-1-piperazinecarboxylate

C18H25N3O2

HCID24901965

3-(2-Chloro-pyrimidin-4-yl)-benzaldehyde

C11H7ClN2O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(Cl)n3)c2)CC1Cc1c[nH]c2ccccc12

HCID86603303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e6ea3013c8141b59c507613e62999b1
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:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH:24]([CH2:29][c:30]2[cH:31][nH:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[CH2:25][NH:26][CH2:27][CH2:28]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14][cH:15]2)[n:7]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([CH2:11][N:26]3[CH2:25][CH:24]([CH2:29][c:30]4[cH:31][nH:32][c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]45)[N:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:28][CH2:27]3)[cH:13][cH:14][cH:15]2)[n:7]1