1,1'-Carbonyldiimidazole → 3,4-difluoro-2-{2-fluoro-4-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl]anilino}-N-(2-hydroxyethoxy)benzamide

HRID 96252

반응식

HRID 96252 반응식
[C:30]([n:31]1[cH:32][cH:33][n:34][cH:35]1)([n:36]1[cH:37][cH:38][n:39][cH:40]1)=[O:41].[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:29])[cH:15][c:16]([C:19]#[C:20][CH2:21][O:22][CH:23]3[O:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:17][cH:18]2)[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[NH2:42][O:43][CH2:44][CH2:45][OH:46]>>[F:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([F:29])[cH:15][c:16]([C:19]#[C:20][CH2:21][O:22][CH:23]3[O:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:17][cH:18]2)[c:4]([C:5](=[O:7])[NH:42][O:43][CH2:44][CH2:45][OH:46])[cH:8][cH:9][c:10]1[F:11]

참가 물질

4

반응물 3

HCID 682631,1'-CarbonyldiimidazoleHCID 3014186Ethanol, 2-(aminooxy)-HCID 220256553,4-difluoro-2-{2-fluoro-4-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl]anilino}benzoic acid

생성물 1

HCID 220256673,4-difluoro-2-{2-fluoro-4-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl]anilino}-N-(2-hydroxyethoxy)benzamide

출처 및 근거

ORD 기록
ord-43df22359bee48eda399a023b302f4cd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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