HRID293013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7807

4-Bromoaniline

C6H6BrN

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CC1(C)Cc2c(c(C(=O)O)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1

HCID178422814

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)Nc3ccc(Br)cc3)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1

HCID178422742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d916636c5ef94065baefd0301e148bc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:61][c:62]1[cH:63][cH:64][c:65]([NH2:66])[cH:67][cH:68]1.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:54][N:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:26])[c:7]1[NH:8][c:9]1[nH:10][c:11]2[c:12]([n:13]1)[cH:14][c:15]([C:23](=[O:24])[OH:25])[c:16]1[c:17]2[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]1.[F:27][P-:28]([F:29])([F:30])([F:31])([F:32])[F:33].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[n:34]1([O:35][P+:36]([N:37]([CH3:38])[CH3:39])([N:40]([CH3:41])[CH3:42])[N:43]([CH3:44])[CH3:45])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:26])[c:7]1[NH:8][c:9]1[nH:10][c:11]2[c:12]([n:13]1)[cH:14][c:15]([C:23](=[O:25])[NH:66][c:65]1[cH:64][cH:63][c:62]([Br:61])[cH:68][cH:67]1)[c:16]1[c:17]2[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]1