HRID2135614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8373

2-Methylbenzoic acid

C8H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F

HCID59324136

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1C

HCID59324121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ca919f36a4c4791b5acd110d0287fc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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