Water → Tert-butyl 4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate

HRID 2146273

Reaction equation

HRID 2146273 reaction equation
[Br:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[CH3:30][C:31]#[N:32].[OH2:29].[n:1]1[cH:2][c:3]([N:7]2[CH2:8][CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([N:7]2[CH2:8][CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]2)[cH:4][cH:5][c:6]1[Br:21]

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 108024941-(Pyridin-3-yl)-4-tert-butoxycarbonylhomopiperazine

Product 1

HCID 22478562Tert-butyl 4-(6-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-3bd2e1d591154f4fb8446cace7d61a55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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