Hydrochloric Acid → HCID 178423790, compound

HRID 305551Notes

Reaction equation

HRID 305551 reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:17](=[O:18])[OH:19])[cH:7][c:8](-[c:10]2[n:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:20].[F:21][C:22]([c:23]1[n:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][n:28]1)([F:32])[F:33].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:17](=[O:19])[NH:31][CH:29]([c:26]2[cH:25][n:24][c:23]([C:22]([F:21])([F:32])[F:33])[n:28][cH:27]2)[CH3:30])[cH:7][c:8](-[c:10]2[n:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666978121-[2-(Trifluoromethyl)pyrimidin-5-yl]ethan-1-amineHCID 673383796-Isopropyl-5'-methyl-2,2'-bipyridine-4-carboxylic acid

Product 1

HCID 178423790HCID 178423790, compound

Sources & evidence

ORD record
ord-06d3eb03edcc4988b07da8e84ed9445c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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