4-Methyl-3-thiopheneboronic acid → (5-methyl-1H-pyrazol-3-yl)-[1-(4-methyl-thiophen-3-yl)-isoquinolin-3-yl]-amine

반응식

[CH3:19][c:20]1[c:21]([B:25]([OH:26])[OH:27])[cH:22][s:23][cH:24]1.[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[n:14][nH:15][c:16]([CH3:18])[cH:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[c:2]1(-[c:21]2[c:20]([CH3:19])[cH:24][s:23][cH:22]2)[n:3][c:4]([NH:12][c:13]2[n:14][nH:15][c:16]([CH3:18])[cH:17]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

참가 물질

반응물 2

HCID 50839314-Methyl-3-thiopheneboronic acid

HCID 57799635(1-chloro-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine

생성물 1

HCID 57799739(5-methyl-1H-pyrazol-3-yl)-[1-(4-methyl-thiophen-3-yl)-isoquinolin-3-yl]-amine

출처 및 근거

ORD 기록: ord-933c48e6a1cd44de9a32f2cb1f8df2af
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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