HRID105205

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-

HCID77379

5-Chloro-1H-indole-3-ethylamine

C10H11ClN2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID43380851

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1F

HCID66831801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24996f0081e542eb8ba46b2166511798
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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