HRID1562556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

2 次

HCID6342

Acetonitrile

C2H3N

HCID81184

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

C9H16N2

HCID562932

2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

C12H16N2

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21

HCID9835179

1-Ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C12H8F3NO3

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4Cc3ccccc3)c(F)c21

HCID13565824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f7c1eb0bdf84af48d042f0b527b06cb
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

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