Cyclohexene → N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-4-amino-2-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]benzamide

HRID 166927

반응식

[CH2:44]1[CH2:45][CH:46]=[CH:47][CH2:48][CH2:49]1.[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:15][C:16]([c:17]4[c:18]([N:26]([C:27]([C:28]([F:29])([F:30])[F:31])=[O:32])[CH:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[cH:19][c:20]([N+:23]([O-:24])=[O:25])[cH:21][cH:22]4)=[O:39])[n:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:40][c:41]([F:43])[cH:42]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:15][C:16]([c:17]4[c:18]([N:26]([C:27]([C:28]([F:29])([F:30])[F:31])=[O:32])[CH:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[cH:19][c:20]([NH2:23])[cH:21][cH:22]4)=[O:39])[n:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:40][c:41]([F:43])[cH:42]1

참가 물질

반응물 3

HCID 8079Cyclohexene

HCID 312751,4-Dioxane

HCID 86647627N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-4-nitro-2-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]benzamide

생성물 1

HCID 86647628N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-4-amino-2-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]benzamide

출처 및 근거

ORD 기록: ord-dca5a810a1bc4bfc929be64cb3a524e6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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