(Pyrimidin-5-yl)boronic acid → (1E,4E)-ethyl 2-amino-8-(pyrimidin-5-yl)-3H-benzo[b]azepine-4-carboxylate

HRID 170746

Reaction equation

HRID 170746 reaction equation
[NH2:1][C:2]1=[N:8][c:7]2[c:6]([cH:12][cH:11][c:10]([Br:13])[cH:9]2)[CH:5]=[C:4]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:3]1.[n:19]1[cH:20][n:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[cH:24]1>>[NH2:1][C:2]1=[N:8][c:7]2[c:6]([cH:12][cH:11][c:10](-[c:23]3[cH:22][n:21][cH:20][n:19][cH:24]3)[cH:9]2)[CH:5]=[C:4]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH2:3]1

Participants

3

Reactant 2

HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 58228535ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate

Product 1

HCID 51034072(1E,4E)-ethyl 2-amino-8-(pyrimidin-5-yl)-3H-benzo[b]azepine-4-carboxylate

Sources & evidence

ORD record
ord-786b9d0a943c40b8ae7505119fff3b74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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