HRID2339791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

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+

反应SMILES：CC(C)(C)OC(=O)N1CC2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)CC2C1

HCID67163600

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)Nc1ccc2c(c1)C(=O)c1cc(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)ccc1-2

HCID67163135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-54de474983ab46d8aa45e51f83008677
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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