HRID290468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2795538

1-(5-Bromo-1-benzofuran-2-yl)methanamine

C9H8BrNO

HCID23130437

未命名化合物

PRODUCTS

生成物

结构：COCc1ccc(C(=O)NCc2cc3cc(Br)ccc3o2)c(N)n1

HCID57608225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-097de6e30af74c3e9137fe36a7cbfe78
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:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][NH2:11])[o:9]2)[cH:12]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[NH2:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]([CH2:23][O:24][CH3:25])[n:22]1.[OH2:60].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][P+:42]([N:43]([CH3:44])[CH3:45])([N:46]([CH3:47])[CH3:48])[N:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][NH:11][C:16]([c:15]3[c:14]([NH2:13])[n:22][c:21]([CH2:23][O:24][CH3:25])[cH:20][cH:19]3)=[O:17])[o:9]2)[cH:12]1