Hydrochloric Acid → HCID 44462841, compound

HRID 1227740Notes

Reaction equation

HRID 1227740 reaction equation
[CH3:63][C:64]#[N:65].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:47].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[OH:11])[n:7][n:8]1)([F:12])[F:13].[F:48][C:49]([c:50]1[nH:51][c:52]2[cH:53][cH:54][c:55]([CH2:59][NH2:60])[cH:56][c:57]2[cH:58]1)([F:61])[F:62].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9](=[O:11])[NH:60][CH2:59][c:55]2[cH:54][cH:53][c:52]3[nH:51][c:50]([C:49]([F:48])([F:61])[F:62])[cH:58][c:57]3[cH:56]2)[n:7][n:8]1)([F:12])[F:13]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58126817(2-(Trifluoromethyl)-1h-indol-5-yl)methanamineHCID 581268206-(trifluoromethyl)pyridazine-3-carboxylic acid

Product 1

HCID 44462841HCID 44462841, compound

Sources & evidence

ORD record
ord-acf327bc446d4f2dab4e5828dfde1c06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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