HRID1141457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21

HCID21092910

未命名化合物

HCID53412057

tert-Butyl 4-(3-chloropropyl)piperazine-1-carboxylate

C12H23ClN2O2

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc21

HCID68920769

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCCN3CCNCC3)cc2)c2ccccc21

HCID68924969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86e63134356d43328fe23bd81013ef1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:85]([O:86][C:87]([N:88]1[CH2:89][CH2:90][N:91]([CH2:92][CH2:93][CH2:94][Cl:95])[CH2:96][CH2:97]1)=[O:98])([CH3:99])([CH3:100])[CH3:101].[Cl:48][c:49]1[cH:50][cH:51][c:52]([N:53]([CH:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[N:61]([C:62](=[O:63])[c:64]3[cH:65][cH:66][c:67]([OH:68])[cH:69][cH:70]3)[CH:71]([CH3:72])[CH2:73]2)[C:74](=[O:75])[CH3:76])[cH:77][cH:78]1.[K+:79].[K+:80].[O-:81][C:82]([O-:83])=[O:84].[O:102]=[CH:103][N:104]([CH3:105])[CH3:106]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH:27]([CH3:47])[CH2:28][CH:29]([N:36]([c:37]4[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]4)[C:44]([CH3:45])=[O:46])[c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]43)[cH:22][cH:23]2)[CH2:12][CH2:13]1