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Dimethylformamide → N-ethyl-N-(2-fluorobenzyl)-3-(4-hydroxyphenyl)propanamide

HRID 108772
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HRID 108772 반응식
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH2:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH:51]([CH3:52])[CH3:53])[CH3:54].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[F:1][c:2]1[c:3]([CH2:4][NH:5][CH2:6][CH3:7])[cH:8][cH:9][cH:10][cH:11]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:12][C:13](=[O:14])[CH2:15][CH2:16][c:17]1[cH:18][cH:19][c:20]([OH:21])[cH:22][cH:23]1.[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[F:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH3:7])[C:13](=[O:12])[CH2:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([OH:21])[cH:22][cH:23]2)[cH:8][cH:9][cH:10][cH:11]1
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참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 103943-(4-Hydroxyphenyl)propionic acidHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 4719442Ethyl[(2-fluorophenyl)methyl]amine

생성물 1

HCID 69120618N-ethyl-N-(2-fluorobenzyl)-3-(4-hydroxyphenyl)propanamide

출처 및 근거

ORD 기록
ord-b0f5d703ae4242d38c90c9f3ef8d87d4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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