HRID698424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID25258775

1-(4-Bromo-2-chlorophenyl)methanamine

C7H7BrClN

HCID59448221

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(C)nc(NC2CCCC(C(=O)NCc3ccc(Br)cc3Cl)C2)n1

HCID67493540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d313a9972a35490489f433105ce283e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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