HRID683156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2060599

Isoxazole-5-carboxylic acid

C4H3NO3

HCID4641409

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

C10H15N6O+

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCNCC1

HCID10408840

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C(=O)c2ccno2)CC1

HCID11443377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd3d6ad73a32423083eccb6d48d5fed0
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

[CH2:72]([Cl:73])[Cl:74].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63].[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1.[ClH:25].[ClH:26].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1.[o:64]1[n:65][cH:66][cH:67][c:68]1[C:69](=[O:70])[OH:71]>>[Cl:27][c:28]1[c:29]([F:54])[c:30]([NH:34][c:35]2[n:36][cH:37][n:38][c:39]3[cH:40][c:41]([O:52][CH3:53])[c:42]([O:45][CH:46]4[CH2:47][CH2:48][N:49]([C:69]([c:68]5[o:64][n:65][cH:66][cH:67]5)=[O:70])[CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1