HRID1218220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID10197934

1-(2-Pyridinyl)-4-piperidinamine

C10H15N3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNC(=O)NC1CCN(c2ccccn2)CC1

HCID9925235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b025618a7a6046bda592707f595d99e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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