HCID 66867836, 화합물 → HCID 49834086, 화합물

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[CH3:17][c:18]1[o:19][c:20](-[c:26]2[cH:27][c:28]([O:32][C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31]2)[c:21]([C:23](=[O:24])[OH:25])[n:22]1.[F:1][C:2]([CH3:3])([F:4])[c:5]1[cH:6][cH:7][c:8]([CH2:10][n:11]2[n:12][cH:13][c:14]([NH2:16])[n:15]2)[o:9]1>>[F:1][C:2]([CH3:3])([F:4])[c:5]1[cH:6][cH:7][c:8]([CH2:10][n:11]2[n:12][cH:13][c:14]([NH:16][C:23]([c:21]3[c:20](-[c:26]4[cH:27][c:28]([O:32][C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31]4)[o:19][c:18]([CH3:17])[n:22]3)=[O:24])[n:15]2)[o:9]1

참가 물질

반응물 2

HCID 66867836HCID 66867836, 화합물

HCID 671278342-[5-(1,1-Difluoro-ethyl)-furan-2-ylmethyl]-2H-[1,2,3]triazol-4-ylamine

생성물 1

HCID 49834086HCID 49834086, 화합물

출처 및 근거

ORD 기록: ord-533640074b4a4cf8bba17e8f0afe8df0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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