Dimethylformamide → 7-chloro-6-[4-(2,2-dimethyl-propionylamino)-but-1-ynyl]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 1554054Notes

Reaction equation

HRID 1554054 reaction equation
[CH2:27]([CH2:28][C:29]#[CH:30])[NH:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37].[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[c:3]([C:30]#[C:29][CH2:28][CH2:27][NH:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 56765707N-(but-3-yn-1-yl)pivalamideHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 866227837-chloro-6-[4-(2,2-dimethyl-propionylamino)-but-1-ynyl]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-774a9ad28ff1408ba4a3adea754f79ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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