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Tetrahydrofuran → 2-(4-Cyclopropylmethoxy-3-nitro-5-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl ester

HRID 202479
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반응식

HRID 202479 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12]([N+:21](=[O:22])[O-:23])[c:13]([OH:20])[c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)=[O:24].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH:25]1([CH2:28][OH:29])[CH2:26][CH2:27]1.[O:49]=[C:50]([O:51][CH2:52][CH3:53])[N:54]=[N:55][C:56]([O:57][CH2:58][CH3:59])=[O:60].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[c:10]1[cH:11][c:12]([N+:21](=[O:22])[O-:23])[c:13]([O:20][CH2:28][CH:25]2[CH2:26][CH2:27]2)[c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)=[O:24]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75644CyclopropanemethanolHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 579955452-(4-Hydroxy-3-nitro-5-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl ester

생성물 1

HCID 57995620
2-(4-Cyclopropylmethoxy-3-nitro-5-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl ester

출처 및 근거

ORD 기록
ord-641d0397f5344865babe14a92f6ae233
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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