Hexafluorophosphate → HCID 66692939, compound

HRID 138481Notes

Reaction equation

HRID 138481 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11][n:12]([CH3:17])[c:13]2[C:14](=[O:15])[OH:16])[cH:5][cH:6][cH:7][cH:8]1.[CH3:71][N:72]([c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1)[CH3:79].[CH3:80][N:81]1[CH2:82][CH2:83][CH2:84][C:85]1=[O:86].[Cl:18][c:19]1[cH:20][c:21]([N+:44](=[O:45])[O-:46])[c:22]([NH:31][C:32]([c:33]2[cH:34][cH:35][c:36]([CH2:39][N:40]([CH3:41])[CH3:42])[cH:37][cH:38]2)=[O:43])[cH:23][c:24]1[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11][n:12]([CH3:17])[c:13]2[C:14](=[O:16])[N:28]2[CH2:27][CH2:26][N:25]([c:24]3[c:19]([Cl:18])[cH:20][c:21]([N+:44](=[O:45])[O-:46])[c:22]([NH:31][C:32]([c:33]4[cH:34][cH:35][c:36]([CH2:39][N:40]([CH3:41])[CH3:42])[cH:37][cH:38]4)=[O:43])[cH:23]3)[CH2:30][CH2:29]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 142844-(Dimethylamino)pyridineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66691672HCID 66691672, compoundHCID 66693726HCID 66693726, compound

Product 1

HCID 66692939HCID 66692939, compound

Sources & evidence

ORD record
ord-6b3edd4c46544aa480b22144d0180902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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