Hydrochloric Acid → HCID 178499126, compound

HRID 675978Notes

Reaction equation

HRID 675978 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[ClH:50].[NH2:51][C:52]1([C:62](=[O:63])[O:64][CH3:65])[CH:53]([c:55]2[cH:56][cH:57][c:58]([Br:61])[cH:59][cH:60]2)[CH2:54]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[NH:51][C:52]2([C:62](=[O:63])[O:64][CH3:65])[CH:53]([c:55]3[cH:56][cH:57][c:58]([Br:61])[cH:59][cH:60]3)[CH2:54]2)[CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5818311-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57999669HCID 57999669, compound

Product 1

HCID 178499126HCID 178499126, compound

Sources & evidence

ORD record
ord-1cc39ca30096422fb9f808ff12b763f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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