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Bicarbonate Ion → 2-{3-[4-(4-Methylphenyl)-4-hydroxypiperidino]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide

HRID 106738
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반응식

HRID 106738 반응식
[C:33](=[O:34])([OH:35])[O-:36].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[S:6](=[O:17])(=[O:18])[c:7]2[c:8]3[c:9]1[cH:10][cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16]2.[Na+:37].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH:19][C:20]1([c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1>>[CH2:2]([CH2:3][CH2:4][N:5]1[S:6](=[O:17])(=[O:18])[c:7]2[c:8]3[c:9]1[cH:10][cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16]2)[N:23]1[CH2:22][CH2:21][C:20]([OH:19])([c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[CH2:25][CH2:24]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 939124-(p-Tolyl)piperidin-4-olHCID 145800262(3-Chloropropyl)naphtho[1,8-cd]isothiazole 1,1-dioxide

생성물 1

HCID 19830857
2-{3-[4-(4-Methylphenyl)-4-hydroxypiperidino]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide

출처 및 근거

ORD 기록
ord-a52efd3068cb44a0879b61545b326f4d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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