Ammonium → Ethyl 4-(hydroxy{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)benzoate

HRID 99016

반응식

HRID 99016 반응식
[CH:14]([Mg+:15])([CH3:16])[CH3:17].[Cl-:13].[Cl-:35].[F:18][C:19]([c:20]1[cH:21][c:22](-[c:26]2[cH:27][cH:28][c:29]([CH:31]=[O:32])[o:30]2)[cH:23][cH:24][cH:25]1)([F:33])[F:34].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[NH4+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[c:2]1([CH:31]([c:29]2[cH:28][cH:27][c:26](-[c:22]3[cH:21][c:20]([C:19]([F:18])([F:33])[F:34])[cH:25][cH:24][cH:23]3)[o:30]2)[OH:32])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1

참가 물질

7

출처 및 근거

ORD 기록
ord-23aada8e6a644a4f82648510f5f5899e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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