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Hydroxyphenylacetic acid → N-ethyl-N-(2-fluorobenzyl)-2-(4-hydroxyphenyl)acetamide

HRID 1122880
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HRID 1122880 반응식
[B-:23]([F:24])([F:25])([F:26])[F:27].[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[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:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:12][C:13](=[O:14])[CH2:15][c:16]1[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]1.[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[F:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH3:7])[C:13](=[O:12])[CH2:15][c:16]2[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]2)[cH:8][cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 127Hydroxyphenylacetic acidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 4719442Ethyl[(2-fluorophenyl)methyl]amine

생성물

1
HCID 69120480N-ethyl-N-(2-fluorobenzyl)-2-(4-hydroxyphenyl)acetamide

출처 및 근거

ORD 기록
ord-f9b51e7c3f0446b6b69b874fa2702181
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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