Hydrochloric Acid → HCID 178502698, compound

HRID 200800Notes

Reaction equation

HRID 200800 reaction equation
[CH3:34][NH:35][O:36][CH3:37].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:1].[ClH:33].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:82].[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.[s:2]1[c:3]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH2:29][C:30](=[O:31])[OH:32])[N:13]([c:16]3[cH:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:20][cH:21]3)[CH2:14][CH2:15]2)[cH:4][cH:5][cH:6]1>>[s:2]1[c:3]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH2:29][C:30](=[O:32])[N:35]([CH3:34])[O:36][CH3:37])[N:13]([c:16]3[cH:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:20][cH:21]3)[CH2:14][CH2:15]2)[cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 14232N,O-DimethylhydroxylamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178466702HCID 178466702, compound

Product 1

HCID 178502698HCID 178502698, compound

Sources & evidence

ORD record
ord-0d3bf9494de443108ee807f9aa048ee0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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