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Bicarbonate Ion → [4-({[2-({[(1,1-Dimethylethyl)oxy]carbonyl}amino)-5-(2-thienyl)phenyl]amino}carbonyl)phenyl]methyl dimethylphosphinate

HRID 823724
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HRID 823724 반응식
[CH3:31][P:32]([OH:33])(=[O:34])[CH3:35].[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][cH:22]3)[cH:17]2)[cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][cH:22]3)[cH:17]2)[cH:7][cH:8]1)[P:32]([CH3:31])(=[O:33])[CH3:35]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 76777Dimethylphosphinic acidHCID 81531DiisopropylethylamineHCID 57607813Tert-butyl 2-{[4-(hydroxymethyl)benzoyl]amino}-4-thien-2-ylphenylcarbamate

생성물 1

HCID 57925914[4-({[2-({[(1,1-Dimethylethyl)oxy]carbonyl}amino)-5-(2-thienyl)phenyl]amino}carbonyl)phenyl]methyl dimethylphosphinate

출처 및 근거

ORD 기록
ord-80e751f53d724b428a3f921a83a7500a
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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