Sodium ion → 2-Hydroxy-5-(2-nitro-4-trifluoromethanesulfonyl-phenoxy)-terephthalic acid diethyl ester

HRID 124936

반응식

HRID 124936 반응식
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[H-:19].[N+:21](=[O:22])([O-:23])[c:24]1[c:25]([Cl:37])[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[C:33]([F:34])([F:35])[F:36])[cH:29]1.[Na+:20].[OH:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][c:10]([OH:18])[c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]1>>[O:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][c:10]([OH:18])[c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]1)[c:25]1[c:24]([N+:21](=[O:22])[O-:23])[cH:29][c:28]([S:30](=[O:31])(=[O:32])[C:33]([F:34])([F:35])[F:36])[cH:27][cH:26]1

참가 물질

6

출처 및 근거

ORD 기록
ord-5ed3bce87e07471d8bcac79760d07991
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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