HRID1209003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID2723764

1-(Piperidin-4-yl)ethanone

C7H13NO

HCID58547697

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1

HCID58547846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4c89fa774a1437e93f79b5510caf3cb
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

[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]([O:8][CH:9]2[CH2:10][N:11]([c:13]3[n:14][c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4[cH:21][cH:22]3)[CH2:12]2)[n:4][cH:5][cH:6][n:7]1.[K+:32].[K+:33].[NH:23]1[CH2:24][CH2:25][CH:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]1.[O-:34][C:35]([O-:36])=[O:37].[OH2:42]>>[c:2]1([N:23]2[CH2:24][CH2:25][CH:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]2)[c:3]([O:8][CH:9]2[CH2:10][N:11]([c:13]3[n:14][c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4[cH:21][cH:22]3)[CH2:12]2)[n:4][cH:5][cH:6][n:7]1