HRID957950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID15880

p-Chlorophenylacetic acid

C8H7ClO2

HCID4641409

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

C10H15N6O+

结构：C[N+](C)(CCCN)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID86656638

未命名化合物

PRODUCTS

生成物

HCID9886

Hexafluorophosphate ion

F6P-

结构：C[N+](C)(CCCNC(=O)Cc1ccc(Cl)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N

HCID44546943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84181b07d0b045c89f2adfb66dbfe4e8
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

[Br-:1].[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Cl:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[OH:33])[cH:28][cH:29]1.[NH2:2][CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:2]([CH2:3][CH2:4][CH2:5][N+:6]([CH3:7])([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][c:16]([Cl:22])[c:17]([NH2:21])[n:18][c:19]1[NH2:20])[C:31]([CH2:30][c:27]1[cH:26][cH:25][c:24]([Cl:23])[cH:29][cH:28]1)=[O:32].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47]