HRID117995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID57418651

未命名化合物

HCID57425537

未命名化合物

PRODUCTS

产物

HCID178485787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1ba468f492ea445ebd30ad51fe7cfd04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[NH:15][CH3:16])[cH:6][cH:7]1.[C:17](#[N:18])[CH2:19][N:20]([CH2:21][C:22](=[O:23])[OH:24])[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1.[C:67](=[O:68])([OH:69])[O-:70].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Na+:71].[OH2:77].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][P+:49]([N:50]([CH3:51])[CH3:52])([N:53]([CH3:54])[CH3:55])[N:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([CH3:16])[C:22]([CH2:21][N:20]([CH2:19][C:17]#[N:18])[c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)=[O:24])[cH:6][cH:7]1