HRID203754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID21639

2-Amino-1-(4-bromophenyl)ethanone

C8H8BrNO

HCID81531

Diisopropylethylamine

C8H19N

HCID268472

未命名化合物

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)c1ccc(Br)cc1

HCID58310150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4ca2660abed4de7acc39f31d989f100
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[N:17]1[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][CH2:24]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[NH2:50][CH2:51][C:52](=[O:53])[c:54]1[cH:55][cH:56][c:57]([Br:60])[cH:58][cH:59]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:10](=[O:11])([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[N:17]1[CH:18]([C:19](=[O:21])[NH:50][CH2:51][C:52](=[O:53])[c:54]2[cH:55][cH:56][c:57]([Br:60])[cH:58][cH:59]2)[CH2:22][CH2:23][CH2:24]1