Hydrochloric Acid → HCID 22236536, compound

HRID 147917Notes

Reaction equation

HRID 147917 reaction equation
[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:31][c:32]1[cH:33][cH:34][c:35]([CH:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[c:36]([CH:38]([CH3:39])[NH:40][C:41]([CH3:42])=[O:43])[cH:37]1.[ClH:10].[ClH:30].[F:11][c:12]1[c:13]([CH:19]2[CH:20]([C:27](=[O:28])[OH:29])[CH2:21][CH:22]([N:24]([CH3:25])[CH3:26])[CH2:23]2)[cH:14][cH:15][c:16]([F:18])[cH:17]1.[OH2:79].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[F:11][c:12]1[c:13]([CH:19]2[CH:20]([C:27](=[O:29])[N:47]3[CH2:46][CH2:45][CH:44]([c:35]4[cH:34][cH:33][c:32]([Cl:31])[cH:37][c:36]4[CH:38]([CH3:39])[NH:40][C:41]([CH3:42])=[O:43])[CH2:49][CH2:48]3)[CH2:21][CH:22]([N:24]([CH3:25])[CH3:26])[CH2:23]2)[cH:14][cH:15][c:16]([F:18])[cH:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22236560HCID 22236560, compoundHCID 178482887HCID 178482887, compound

Product 1

HCID 22236536HCID 22236536, compound

Sources & evidence

ORD record
ord-1c89cb55475e4e08b44e6d3e0d4b83f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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