HRID1149008

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

HCID1425240

5-Methylisoxazole-4-carboxylic acid

C5H5NO3

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)c2cnoc2C)CC1

HCID11249247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4043234d487426c935f1a0b3da64099
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:73]([Cl:74])[Cl:75].[CH3:64][c:65]1[c:66]([C:70](=[O:71])[OH:72])[cH:67][n:68][o:69]1.[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>>[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:70]([c:66]5[c:65]([CH3:64])[o:69][n:68][cH:67]5)=[O:71])[CH2:50][CH2:51]4)[cH:43][c:44]23)[cH:31][cH:32][cH:33]1