HRID692340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID83615

2,5-Xylylacetic acid

C10H12O2

HCID4641409

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

C10H15N6O+

HCID12741417

未命名化合物

PRODUCTS

生成物

结构：CCCN(C(=O)Cc1cc(C)ccc1C)C1CCc2cccc(OC)c2C1

HCID67250560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57b90a26e3074687bd4e467c46d2229c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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