HRID161115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID82140

2-Aminoimidazole

C3H5N3

HCID130500

未命名化合物

结构：CCOc1cc(C(=O)O)c2nc(NC(=O)c3cc4cc(OC)c(OC)cc4cn3)[nH]c2c1

HCID66940830

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)c3cc4cc(OC)c(OC)cc4cn3)nc2c1

HCID178466815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bcdcb2fe45045d4a40795174577bc09
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][c:7]([C:15](=[O:16])[NH:17][c:18]3[n:19][c:20]4[c:21]([nH:22]3)[cH:23][c:24]([O:30][CH2:31][CH3:32])[cH:25][c:26]4[C:27](=[O:28])[OH:29])[n:8][cH:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[NH2:71][c:72]1[nH:73][cH:74][cH:75][n:76]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[S:66]([OH:67])([OH:68])(=[O:69])=[O:70].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][c:7]([C:15](=[O:16])[NH:17][c:18]3[nH:19][c:20]4[c:21]([n:22]3)[cH:23][c:24]([O:30][CH2:31][CH3:32])[cH:25][c:26]4[C:27](=[O:29])[NH:71][c:72]3[nH:73][cH:74][cH:75][n:76]3)[n:8][cH:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]