HRID303923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID4586057

Bis(2-methylbutan-2-yl) dicarbonate

C12H22O5

结构：Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)COC4CCN(C(=O)OC(C)(C)C)CC4)cc3)oc12

HCID24738038

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2ccc(-c3nc4cc(C#N)cc(C)c4o3)cc2)CC1

HCID24738524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f69cd1d894a946a98c45d7ea945697b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH3:36])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([NH:17][C:18]([CH2:19][O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]4)=[O:34])[cH:15][cH:16]3)[o:10]2)[cH:35]1.[C:37]([O:38][C:39]([O:40][C:41]([CH2:42][CH3:43])([CH3:44])[CH3:45])=[O:46])([O:47][C:48]([CH2:49][CH3:50])([CH3:51])[CH3:52])=[O:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH3:36])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([NH:17][C:18]([CH2:19][O:20][CH:21]4[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH2:33][CH3:37])[CH2:25][CH2:26]4)=[O:34])[cH:15][cH:16]3)[o:10]2)[cH:35]1