HRID948567

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

结构：Nc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

HCID13910947

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

C13H9F3N2O3

HCID15192253

1,2,3,4,5,6-Hexahydropyrrolo[3,4-c]pyrrole

C6H10N2

PRODUCTS

生成物

结构：Nc1c(F)c(N2CC3=C(CNC3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

HCID9952225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ab8e0551594bb5ae2b6d21bb59b1d6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BrH:22].[BrH:23].[C:24]12=[C:28]([CH2:27][NH:26][CH2:25]1)[CH2:29][NH:30][CH2:31]2.[CH3:43][C:44]#[N:45].[N:32]12[CH2:33][CH2:34][CH2:35][N:36]=[C:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2.[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]([F:14])[c:10]([F:13])[c:11]1[F:12]>>[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]([F:14])[c:10]([N:26]2[CH2:25][C:24]3=[C:28]([CH2:27]2)[CH2:29][NH:30][CH2:31]3)[c:11]1[F:12]