3,3-Dimethyl-1-butyne → 3-tert-butoxycarbonyl-6-(3,3-dimethyl-but-1-ynyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 1573736Notes

Reaction equation

HRID 1573736 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:16][cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:27][C:28]([C:29]#[CH:30])([CH3:31])[CH3:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([C:30]#[C:29][C:28]([CH3:27])([CH3:31])[CH3:32])[cH:16][cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

3

Reactant 2

HCID 135123,3-Dimethyl-1-butyneHCID 575058791,1-Dimethylethyl 6-{[(trifluoromethyl)sulfonyl]oxy}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

Product 1

HCID 667064013-tert-butoxycarbonyl-6-(3,3-dimethyl-but-1-ynyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-9eccfd8047364ea2a0e4c620cd202a6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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