Aniline → 4-Hydroxy-1-phenylamino-isoquinoline-3-carboxylic acid butyl ester

HRID 169951

Reaction equation

HRID 169951 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[NH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([NH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18]

Participants

4

Reactant 3

HCID 6115AnilineHCID 8857Ethyl AcetateHCID 860145411-Bromo-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester

Product 1

HCID 667127874-Hydroxy-1-phenylamino-isoquinoline-3-carboxylic acid butyl ester

Sources & evidence

ORD record
ord-dda849fcef20487e9204cc2c543c2cc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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