HRID1229911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

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+

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)O)ccc3n12

HCID58575281

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCc5ccccc5C4)ccc3n12

HCID58575187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36f644fe3df54016a7c76777baa714ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH2:21]1[NH:22][CH2:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]21.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[O:1]=[c:2]1[c:3]2[n:4]([c:5]3[cH:6][cH:7][c:8]([C:12](=[O:13])[OH:14])[cH:9][c:10]3[nH:11]1)[c:15]([CH2:18][CH2:19][CH3:20])[n:16][n:17]2.[OH2:64].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[O:1]=[c:2]1[c:3]2[n:4]([c:5]3[cH:6][cH:7][c:8]([C:12](=[O:14])[N:22]4[CH2:21][c:30]5[c:25]([cH:26][cH:27][cH:28][cH:29]5)[CH2:24][CH2:23]4)[cH:9][c:10]3[nH:11]1)[c:15]([CH2:18][CH2:19][CH3:20])[n:16][n:17]2