Acetic Acid → ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate

HRID 89729

Reaction equation

HRID 89729 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:18]([O-:19])=[O:20])[c:5]([CH:8]=[C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:15][C:16]#[N:17])[cH:6][cH:7]1.[C:32]([OH:33])(=[O:34])[CH3:35].[CH3:26][CH2:27][O:28][C:29]([CH3:30])=[O:31].[Fe:37].[Na+:25].[O-:21][C:22]([OH:23])=[O:24].[OH2:36]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[CH:8]=[C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:15][C:16]([NH2:17])=[N:18]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 76709227Ethyl 3-(4-bromo-2-nitrophenyl)-2-(cyanomethyl)prop-2-enoate

Product 1

HCID 58228535ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate

Sources & evidence

ORD record
ord-8ff2764ba69246bbbd022ad9cb3b3ffb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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