7-(4-tert-Butylphenoxy)-isoquinoline-3-carboxylic acid → HCID 178499697, compound

HRID 1548797Notes

Reaction equation

HRID 1548797 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([C:20](=[O:21])[OH:22])[n:16][cH:17][c:18]3[cH:19]2)[cH:23][cH:24]1.[CH3:25][O:26][C:27]([CH:28]([CH2:29][c:30]1[cH:31][cH:32][c:33]([Br:36])[cH:34][cH:35]1)[NH2:37])=[O:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([C:20](=[O:21])[NH:37][CH:28]([C:27]([O:26][CH3:25])=[O:38])[CH2:29][c:30]4[cH:31][cH:32][c:33]([Br:36])[cH:34][cH:35]4)[n:16][cH:17][c:18]3[cH:19]2)[cH:23][cH:24]1

Participants

3

Reactant 2

HCID 184576667-(4-tert-Butylphenoxy)-isoquinoline-3-carboxylic acidHCID 21921420Methyl 2-amino-3-(4-bromophenyl)propanoate

Product 1

HCID 178499697HCID 178499697, compound

Sources & evidence

ORD record
ord-75be509193c944899e873814a96414b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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