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Acetone → 4-[1-(Octanoyloxy)ethoxy]-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide

HRID 98424
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인쇄 미리보기

반응식

HRID 98424 반응식
[C:24](=[O:25])([O-:26])[O-:27].[C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])(=[O:38])[O:39][CH:40]([CH3:41])[Cl:42].[CH3:1][N:2]1[C:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)=[C:13]([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[S:21]1(=[O:22])=[O:23].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:58][C:59](=[O:60])[CH3:61].[I-:44].[K+:28].[K+:29].[Na+:43].[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][N:2]1[C:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)=[C:13]([O:14][CH:40]([O:39][C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[O:38])[CH3:41])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[S:21]1(=[O:22])=[O:23]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 180AcetoneHCID 813Potassium Cation2회HCID 923Sodium IonHCID 1140TolueneHCID 8058HexaneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 202603341-Chloroethyl octanoate
HCID 54676228
Piroxicam

생성물 1

HCID 135066544-[1-(Octanoyloxy)ethoxy]-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide

출처 및 근거

ORD 기록
ord-2a705a4628074edeaa95bc2951e1f236
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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