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Dimethylformamide → N-butyl-N-(2,3-dimethoxybenzyl)-3-(4-hydroxyphenyl)propanamide

HRID 2322805
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HRID 2322805 반응식
[B-:29]([F:30])([F:31])([F:32])[F:33].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][CH2:8][CH2:9][CH3:10])[cH:11][cH:12][cH:13][c:14]1[O:15][CH3:16].[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:17][C:18](=[O:19])[CH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]1.[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][CH2:9][CH3:10])[C:18](=[O:17])[CH2:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]2)[cH:11][cH:12][cH:13][c:14]1[O:15][CH3:16]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 103943-(4-Hydroxyphenyl)propionic acidHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 4717318Butyl[(2,3-dimethoxyphenyl)methyl]amine

생성물 1

HCID 69120686N-butyl-N-(2,3-dimethoxybenzyl)-3-(4-hydroxyphenyl)propanamide

출처 및 근거

ORD 기록
ord-e8449accd20443c1813cbb2db1594db6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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