Dichloromethane → HCID 46927295, compound

HRID 680382Notes

Reaction equation

HRID 680382 reaction equation
[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:12][c:13]2[C:14]([F:15])([F:16])[F:17])[cH:7]1.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:82][CH2:83][Cl:84].[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[NH2:33][c:34]1[cH:35][cH:36][c:37]([N:40]2[CH2:41][CH2:42][N:43]([C:46]([CH3:47])=[O:48])[CH2:44][CH2:45]2)[cH:38][n:39]1.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:18][C:19](=[O:20])[NH:33][c:34]3[cH:35][cH:36][c:37]([N:40]4[CH2:41][CH2:42][N:43]([C:46]([CH3:47])=[O:48])[CH2:44][CH2:45]4)[cH:38][n:39]3)[cH:12][c:13]2[C:14]([F:15])([F:16])[F:17])[cH:7]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 284116891-(4-(6-Aminopyridin-3-YL)piperazin-1-YL)ethan-1-oneHCID 68247105HCID 68247105, compound

Product 1

HCID 46927295HCID 46927295, compound

Sources & evidence

ORD record
ord-f2796e92f0d9474490a8ed103ef83268
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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