HRID1543634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

结构：Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID10851306

5-Amino-1-cyclopropyl-6,7-difluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C14H12F2N2O3

HCID14930995

tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

C11H20N2O2

PRODUCTS

生成物

结构：Cc1c(N2CC(NC(=O)OC(C)(C)C)C3(CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID22633934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c34a9157a8640bf81e2ab5c1f66e7e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH:30]1[CH2:31][NH:32][CH2:33][C:34]12[CH2:35][CH2:36]2.[CH3:37][S:38](=[O:39])[CH3:40].[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([F:13])[c:11]1[F:12].[OH2:41]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:21])[c:5]([C:18](=[O:19])[OH:20])[cH:6][n:7]([CH:15]3[CH2:16][CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([N:32]2[CH2:31][CH:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[C:34]3([CH2:33]2)[CH2:35][CH2:36]3)[c:11]1[F:12]