HRID175332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID59598394

未命名化合物

反应SMILES：Cn1c(CN2CCCC2)c(C(=O)O)c(=O)n1-c1ccccc1

HCID59598457

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1

HCID11947782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-90b8e799e79744c8949ef9fdd0aadd53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[cH:15][cH:16][c:17]([NH2:20])[n:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:21][n:22]1[n:23](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:24](=[O:36])[c:25]([C:33](=[O:34])[OH:35])[c:26]1[CH2:27][N:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[cH:15][cH:16][c:17]([NH:20][C:33]([c:25]4[c:24](=[O:36])[n:23](-[c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[n:22]([CH3:21])[c:26]4[CH2:27][N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)=[O:34])[n:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1