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Water → N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl) ethyl}phenyl]3-(benzoylamino)benzamide

HRID 98618
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HRID 98618 반응식
[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:27])[NH:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][cH:37]1.[CH3:1][c:2]1[c:3]([NH2:4])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH3:1][c:2]1[c:3]([NH:4][C:32]([c:31]2[cH:30][c:29]([NH:28][C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[cH:37][cH:36][cH:35]2)=[O:33])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1
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반응물 6

HCID 962WaterHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12753462-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 184700593-Benzamidobenzoyl chloride

생성물 1

HCID 23150030
N-[2,6-dimethyl-4-{1-hydroxy-2,2,2-trifluoro-1-(trifluoromethyl) ethyl}phenyl]3-(benzoylamino)benzamide

출처 및 근거

ORD 기록
ord-af841257de554c509e1a15ef3891a87e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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