Hydrochloric Acid → 6-[3,5-Bis(trifluoromethyl)benzyl]-4-chloro-5,6,7,8,9,10-hexahydro-2-(methylthio)-5-oxopyrimido[4,5-b][1,5]diazocine

HRID 2142233Notes

Reaction equation

HRID 2142233 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][N:8]([C:9](=[O:10])[c:11]2[c:12]([Cl:20])[n:13][c:14]([S:18][CH3:19])[n:15][c:16]2[Cl:17])[CH2:21][CH2:22][CH2:23][NH2:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[K+:38].[K+:39]>>[F:2][C:3]([c:4]1[cH:5][c:6]([CH2:7][N:8]2[C:9](=[O:10])[c:11]3[c:12]([Cl:20])[n:13][c:14]([S:18][CH3:19])[n:15][c:16]3[NH:24][CH2:23][CH2:22][CH2:21]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 21030669HCID 21030669, compound

Product 1

HCID 220535996-[3,5-Bis(trifluoromethyl)benzyl]-4-chloro-5,6,7,8,9,10-hexahydro-2-(methylthio)-5-oxopyrimido[4,5-b][1,5]diazocine

Sources & evidence

ORD record
ord-a7fc8a5a7b854cc8a451fda90346b046
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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