HRID1541395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID67574

Benzenamine, 4-chloro-3-(trifluoromethyl)-

C7H5ClF3N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID14722819

7-Methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H14O3

PRODUCTS

生成物

结构：COc1ccc2c(c1)CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2

HCID58902339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bfaae4ed7684765928a4fccc69fe1dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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