HRID1115582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10977812

4-(4-PROPYL-1-PIPERAZINYL)BENZOIC ACID

C14H20N2O2

HCID11194684

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1

HCID10201696

Balicatib

C23H33N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03cfa46a74d147c0ab0362bc55448162
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

[C:45](#[N:46])[CH2:47][NH:48][C:49](=[O:50])[C:51]1([NH2:57])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[CH2:1]([CH2:2][CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]2)[CH2:8][CH2:9]1.[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:58][C:59]#[N:60].[CH3:61][C:62](=[O:63])[OH:64].[CH:36]([N:37]=[C:38]=[N:39][CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[CH2:1]([CH2:2][CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:57][C:51]3([C:49]([NH:48][CH2:47][C:45]#[N:46])=[O:50])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]3)[cH:17][cH:18]2)[CH2:8][CH2:9]1