p-Chlorothiophenol → {[1-(4-Chloro-phenylsulfanyl)-4-hydroxy-isoquinoline-3-carbonyl]-amino)-acetic acid

HRID 198841

반응식

HRID 198841 반응식
[Cl:1][c:2]1[n:3][c:4]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[OH:19])[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Cl:20][c:21]1[cH:22][cH:23][c:24]([SH:27])[cH:25][cH:26]1>>[c:2]1([S:27][c:24]2[cH:23][cH:22][c:21]([Cl:20])[cH:26][cH:25]2)[n:3][c:4]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[OH:19])[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

참가 물질

3

반응물 2

HCID 7815p-ChlorothiophenolHCID 6914666FG-2216

생성물 1

HCID 11361252{[1-(4-Chloro-phenylsulfanyl)-4-hydroxy-isoquinoline-3-carbonyl]-amino)-acetic acid

출처 및 근거

ORD 기록
ord-ccfda22165b94a29a479207df0defb54
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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