1-Nitropropane → 1-[2,3-Dichloro-4-(2-nitropent-1-enyl)phenoxy]cyclobutane-1-carboxylic acid

HRID 148438

반응식

HRID 148438 반응식
[Cl:1][c:2]1[c:3]([Cl:4])[c:5]([CH:6]=[O:7])[cH:8][cH:9][c:10]1[O:11][CH2:12][CH2:13][CH2:14][C:15]([OH:16])=[O:17].[Cl:24][c:25]1[c:26]([O:27][C:28]2([C:32](=[O:33])[OH:34])[CH2:29][CH2:30][CH2:31]2)[cH:35][cH:36][c:37]([CH:40]=[O:41])[c:38]1[Cl:39].[N+:18]([CH2:19][CH2:20][CH3:21])([O-:22])=[O:23].[N+:42](=[O:43])([O-:44])[CH2:45][CH2:46][CH2:47][CH3:48]>>[Cl:24][c:25]1[c:26]([O:27][C:28]2([C:32](=[O:33])[OH:34])[CH2:29][CH2:30][CH2:31]2)[cH:35][cH:36][c:37]([CH:40]=[C:45]([N+:42](=[O:43])[O-:44])[CH2:46][CH2:47][CH3:48])[c:38]1[Cl:39]

참가 물질

5

출처 및 근거

ORD 기록
ord-18f7ba5a46a84f649322bf134d833f2c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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