HRID157937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID18496

6-Aminonicotinic acid

C6H6N2O2

HCID10938827

未命名化合物

HCID23130612

未命名化合物

PRODUCTS

生成物

HCID23130353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c3b7280730486ab409b41f73d2592b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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