Hydrochloric Acid → HCID 86619841, compound

HRID 136648Notes

Reaction equation

HRID 136648 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:28])[N:10]([CH:21]([C:22](=[O:23])[OH:24])[CH:25]([CH3:26])[CH3:27])[CH:11]([c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[CH2:12]1.[CH2:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][NH2:47].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[ClH:38].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:28])[N:10]([CH:21]([C:22](=[O:24])[NH:47][O:46][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH:25]([CH3:26])[CH3:27])[CH:11]([c:13]2[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[CH2:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 102313O-BenzylhydroxylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68539667HCID 68539667, compound

Product 1

HCID 86619841HCID 86619841, compound

Sources & evidence

ORD record
ord-7ec8bede66bf4e2e9bf6fbf2b44e9771
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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