HRID2145961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID74653

3-Bromophenylacetic acid

C8H7BrO2

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID178446166

未命名化合物

PRODUCTS

生成物

结构：CCCCCn1c(=NNC(=O)Cc2cccc(Br)c2)[nH]c(=O)c2[nH]cnc21

HCID178446147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfad02b3986d452c930bea219a89fc7a
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

[Br:18][c:19]1[cH:20][c:21]([CH2:25][C:26](=[O:27])[OH:28])[cH:22][cH:23][cH:24]1.[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7](=[N:16][NH2:17])[nH:8][c:9](=[O:15])[c:10]2[nH:11][cH:12][n:13][c:14]12.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][P+:38]([N:39]([CH3:40])[CH3:41])([N:42]([CH3:43])[CH3:44])[N:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7](=[N:16][NH:17][C:26]([CH2:25][c:21]2[cH:20][c:19]([Br:18])[cH:24][cH:23][cH:22]2)=[O:27])[nH:8][c:9](=[O:15])[c:10]2[nH:11][cH:12][n:13][c:14]12