HRID2126549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O

HCID535414

1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

C13H8F3NO3

HCID19828489

Carbamic acid, [(2,3-dihydro-1H-isoindol-4-yl)methyl]-, 1,1-dimethylethyl ester

C14H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

HCID67922418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb36aac8da9645dd9aa0afd4e67ebadc
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

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