HRID297936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID4738602

1-Cyclobutylpiperazine

C8H16N2

HCID49760220

1-Benzylspiro[indole-3,4'-piperidin]-2(1H)-one

C19H20N2O

PRODUCTS

生成物

结构：O=C(N1CCN(C2CCC2)CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12

HCID57513878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf972ce1a5f04e60bde9c10a52ca8a86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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