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Dimethylformamide → Methyl 2-[2-(4-{2-[(2,4-difluorobenzyl)(propyl)amino]-2-oxoethoxy}phenyl)ethoxy]benzoate

HRID 195613
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HRID 195613 반응식
[B-:38]([F:39])([F:40])([F:41])[F:42].[CH2:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[CH3:68].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:21][cH:22][cH:23][cH:24]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[F:25][c:26]1[c:27]([CH2:28][NH:29][CH2:30][CH2:31][CH3:32])[cH:33][cH:34][c:35]([F:37])[cH:36]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][C:16](=[O:18])[N:29]([CH2:28][c:27]3[c:26]([F:25])[cH:36][c:35]([F:37])[cH:34][cH:33]3)[CH2:30][CH2:31][CH3:32])[cH:19][cH:20]2)[cH:21][cH:22][cH:23][cH:24]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 24690356[(2,4-Difluorophenyl)methyl](propyl)amineHCID 69258392(4-{2-[2-(Methoxycarbonyl)phenoxy]ethyl}phenoxy)acetic acid

생성물 1

HCID 69259573Methyl 2-[2-(4-{2-[(2,4-difluorobenzyl)(propyl)amino]-2-oxoethoxy}phenyl)ethoxy]benzoate

출처 및 근거

ORD 기록
ord-0063e06a201742019ac2ede11d167320
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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