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

HRID 169951

반응식

HRID 169951 반응식
[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]

참가 물질

4

반응물 3

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

생성물 1

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

출처 및 근거

ORD 기록
ord-dda849fcef20487e9204cc2c543c2cc3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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