HRID2135832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID61778

Bisulfate anion

HO4S-

HCID69975

Hydroxypyridinone

C5H5NO2

HCID21955284

2-Oxa-7-azaspiro[3.5]nonane

C7H13NO

结构：CC1C(=O)N(CCCC(=O)O)CCN1C(=O)Nc1cccc(Cl)c1

HCID67086919

未命名化合物

PRODUCTS

生成物

结构：CC1C(=O)N(CCCC(=O)N2CCC3(CC2)COC3)CCN1C(=O)Nc1cccc(Cl)c1

HCID76709840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3070a61c67f14e348d57fb9d68fd8e25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][C:54]12[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[N:11]2[CH:12]([CH3:24])[C:13](=[O:23])[N:14]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1.[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[K+:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:25][n:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1=[O:32].[S:67](=[O:68])(=[O:69])([OH:70])[O-:71]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[N:11]2[CH:12]([CH3:24])[C:13](=[O:23])[N:14]([CH2:17][CH2:18][CH2:19][C:20](=[O:22])[N:57]3[CH2:56][CH2:55][C:54]4([CH2:51][O:52][CH2:53]4)[CH2:59][CH2:58]3)[CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1