HRID691348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

HCID3003

未命名化合物

结构：CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

HCID4583

Ofloxacin

C18H20FN3O4

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

PRODUCTS

生成物

结构：CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)OCC(=O)C4(O)C(C)CC5C6CCC7=CC(=O)C=CC7(C)C6(F)C(O)CC54C)cn1c23

HCID178431286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31d51967b36d482895d305aa88fc5e14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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