Hydrochloric Acid → 1,2-Dibenzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-hexahydro-1H-1,2,5-triazepin

HRID 701860Notes

Reaction equation

HRID 701860 reaction equation
[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)(=[O:9])[N:10]1[N:11]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[ClH:1].[F:31][c:32]1[cH:33][cH:34][c:35]([CH:38]([CH2:39][CH2:40][CH2:41][Br:42])[c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:36][cH:37]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30]>>[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)(=[O:9])[N:10]1[N:11]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH2:12][CH2:13][N:14]([CH2:41][CH2:40][CH2:39][CH:38]([c:35]2[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]2)[c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[CH2:15][CH2:16]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 937631,1'-(4-Bromobutylidene)bis[4-fluorobenzene]HCID 143909121,2-Dibenzoylhexahydro-1H-1,2,5-triazepine

Product 1

HCID 143909131,2-Dibenzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-hexahydro-1H-1,2,5-triazepin

Sources & evidence

ORD record
ord-ed82f3c4e97c42ba83317773414738a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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