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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → N-[5-[4-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

HRID 316150
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인쇄 미리보기

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HRID 316150 반응식
[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][N:6]1[CH2:7][c:8]1[n:9][n:10][c:11](-[c:13]3[c:14]4[cH:15][n:16][n:17]([S:35]([c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)(=[O:42])=[O:43])[c:18]4[cH:19][c:20](-[c:22]4[cH:23][c:24]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:25]([O:28][CH3:29])[n:26][cH:27]4)[cH:21]3)[o:12]1)[CH2:44][CH2:45][CH2:46]2.[CH2:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[Na+:48].[OH-:47]>>[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][N:6]1[CH2:7][c:8]1[n:9][n:10][c:11](-[c:13]3[c:14]4[cH:15][n:16][nH:17][c:18]4[cH:19][c:20](-[c:22]4[cH:23][c:24]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:25]([O:28][CH3:29])[n:26][cH:27]4)[cH:21]3)[o:12]1)[CH2:44][CH2:45][CH2:46]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 961HydroxideHCID 8078CyclohexaneHCID 312751,4-DioxaneHCID 178494074HCID 178494074, 화합물

생성물 1

HCID 77179827N-[5-[4-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

출처 및 근거

ORD 기록
ord-644f6bb312d24580b94b4e4a11b0766f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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