Hydrochloric Acid → HCID 71575882, compound

HRID 295667Notes

Reaction equation

HRID 295667 reaction equation
[CH3:69][C:70]#[N:71].[Cl:25][c:26]1[cH:27][c:28]([C:34]2([C:49]([F:50])([F:51])[F:52])[CH2:35][C:36]([c:39]3[cH:40][c:41]([CH3:48])[c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]3)=[N:37][O:38]2)[cH:29][c:30]([Cl:33])[c:31]1[F:32].[ClH:53].[ClH:68].[NH2:54][CH2:55][c:56]1[cH:57][c:58]2[c:59]([cH:66][cH:67]1)[B:60]([OH:65])[O:61][C:62]2([CH3:63])[CH3:64].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:25][c:26]1[cH:27][c:28]([C:34]2([C:49]([F:50])([F:51])[F:52])[CH2:35][C:36]([c:39]3[cH:40][c:41]([CH3:48])[c:42]([C:43](=[O:45])[NH:54][CH2:55][c:56]4[cH:57][c:58]5[c:59]([cH:66][cH:67]4)[B:60]([OH:65])[O:61][C:62]5([CH3:63])[CH3:64])[cH:46][cH:47]3)=[N:37][O:38]2)[cH:29][c:30]([Cl:33])[c:31]1[F:32]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 86685452HCID 86685452, compoundHCID 866854534-(5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid

Product 1

HCID 71575882HCID 71575882, compound

Sources & evidence

ORD record
ord-ae7eebe0b3de4f19aee1eebe860f11c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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