Hydrochloric Acid → HCID 178446322, compound

HRID 1564447Notes

Reaction equation

HRID 1564447 reaction equation
[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]([F:10])([F:11])[F:12])[NH:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[OH:21])[cH:6][n:7]1.[ClH:22].[NH2:23][C:24]1([C:27]#[N:28])[CH2:25][CH2:26]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]([F:10])([F:11])[F:12])[NH:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:21])[NH:23][C:24]2([C:27]#[N:28])[CH2:25][CH2:26]2)[cH:6][n:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5568881-AminocyclopropanecarbonitrileHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178446323HCID 178446323, compound

Product 1

HCID 178446322HCID 178446322, compound

Sources & evidence

ORD record
ord-c67ebd6d4af84543838645d930edf1a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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