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Dimethylformamide → 7-(4-dimethylaminophenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

HRID 684754
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HRID 684754 반응식
[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[OH:21])[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[NH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][P:30]2(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:37][cH:38]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[NH:24][c:25]2[cH:26][cH:27][c:28]([CH2:29][P:30]4(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:37][cH:38]2)[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 757711-HydroxybenzotriazoleHCID 184725407-(4-Dimethylaminophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acidHCID 229899861-(4-Aminobenzyl)phosphorinane-1-oxide

생성물 1

HCID 18472245
7-(4-dimethylaminophenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

출처 및 근거

ORD 기록
ord-508320d1498649369b1791452c597422
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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