HRID1571649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID702

Ethanol

C2H6O

HCID19660

Carbonate

CO3-2

结构：N#Cc1cccc(N(C(=O)NC2CCN(Cc3ccccc3)CC2)C2CCCCCC2)c1

HCID53879433

N-(3-Cyanophenyl)-N'-(1-benzylpiperidin-4-yl)cycloheptylurea

C27H34N4O

PRODUCTS

生成物

结构：N=C(N)c1cccc(N(C(=O)NC2CCN(Cc3ccccc3)CC2)C2CCCCCC2)c1

HCID54137994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-554711bd49004b95a426c0ea8b608966
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)[CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:6][cH:7][cH:8]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][CH2:40][OH:41].[NH4+:37].[NH4+:38]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([N:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)[CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:6][cH:7][cH:8]1)=[NH:37]