8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one → 8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol

반응식

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

참가 물질

반응물 2

HCID 119558408-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one

HCID 119642138-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino}-3,4-dihydronaphthalen-2(1H)-one

생성물 1

HCID 119642598-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol

출처 및 근거

ORD 기록: ord-927b41d1b099482fb1beaa71113e81cf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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