Methanol → 2,2,4,6,7-pentamethyl-5-(4-nitrobenzoyl)oxy-3H-1-benzofuran-3-carboxylic acid

HRID 100829

반응식

HRID 100829 반응식
[CH3:45][O:46][CH:47]([O:48][CH3:49])[O:50][CH3:51].[CH3:52][OH:53].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][c:11]2[c:12]([CH3:26])[c:13]([CH3:25])[c:14]3[c:15]([c:23]2[CH3:24])[C:16](=[O:22])[CH2:17][C:18]([CH3:20])([CH3:21])[O:19]3)[cH:27][cH:28]1.[N+:32](=[O:33])([O-:34])[O-:35].[N+:37]([O-:38])([O-:39])=[O:40].[N+:41]([O-:42])([O-:43])=[O:44].[OH2:29].[OH2:30].[OH2:31].[Tl+3:36]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][c:11]2[c:12]([CH3:26])[c:13]([CH3:25])[c:14]3[c:15]([c:23]2[CH3:24])[CH:17]([C:16]([OH:22])=[O:33])[C:18]([CH3:20])([CH3:21])[O:19]3)[cH:27][cH:28]1

참가 물질

7

출처 및 근거

ORD 기록
ord-399591cffef440a6b63bdb5df4aaa75c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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