HRID2320212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10868438

未命名化合物

HCID14209983

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21

HCID14210083

N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-5-oxo-11H-pyrido[2,3-b][1,5]benzodiazepine-11-carboxamide

C27H38N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19c581a169164cfd963b23ca3848b2d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:20]([CH2:21][CH3:22])[N:23]([CH2:24][CH2:25][CH3:26])[CH2:27][CH:28]1[N:29]([CH2:34][CH2:35][NH2:36])[CH2:30][CH2:31][CH2:32][CH2:33]1.[CH3:37][C:38]#[N:39].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[C:7](=[O:15])[NH:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[C:7](=[O:15])[NH:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[NH:36][CH2:35][CH2:34][N:29]1[CH:28]([CH2:27][N:23]([CH2:20][CH2:21][CH3:22])[CH2:24][CH2:25][CH3:26])[CH2:33][CH2:32][CH2:31][CH2:30]1