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Sodium Ion → 8-Methoxy-N-propyl-N-[3-(2,3-dihydro-1,1-dioxo-3-oxo-1,2-benzisothiazolyl)propyl]-2-aminotetralin

HRID 103870
노트
인쇄 미리보기

반응식

HRID 103870 반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:12]1[CH2:11][CH:10]([NH:13][CH2:14][CH2:15][CH3:16])[CH2:9][CH2:8]2.[CH3:39][C:40]#[N:41].[I:17][CH2:18][CH2:19][CH2:20][N:21]1[S:22](=[O:31])(=[O:32])[c:23]2[c:24]([cH:27][cH:28][cH:29][cH:30]2)[C:25]1=[O:26].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:12]1[CH2:11][CH:10]([N:13]([CH2:14][CH2:15][CH3:16])[CH2:18][CH2:19][CH2:20][N:21]1[S:22](=[O:31])(=[O:32])[c:23]3[c:24]([cH:27][cH:28][cH:29][cH:30]3)[C:25]1=[O:26])[CH2:9][CH2:8]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 127414178-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amineHCID 18331848N-(3-iodopropyl)-2,3-dihydro-1,1-dioxo-3-benzisothiazolone

생성물 1

HCID 183318118-Methoxy-N-propyl-N-[3-(2,3-dihydro-1,1-dioxo-3-oxo-1,2-benzisothiazolyl)propyl]-2-aminotetralin

출처 및 근거

ORD 기록
ord-6b7e7357bd21497aa92446a170fe42db
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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