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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Bicarbonate Ion → 2-[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]-1H-isoindole-1,3(2H)-dione

HRID 199700
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HRID 199700 반응식
[C:53](=[O:54])([O-:55])[OH:56].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH2:39][N:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:6]2[c:11]([c:12]3[c:13]1[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]3)[C:10]([c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[c:28]3[c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34][cH:35][cH:36]3)[cH:22][cH:23][cH:24]1)=[N:9][C:8]([CH3:37])([CH3:38])[CH2:7]2.[CH3:46][C:47]([O:48][C:49](=[O:50])[CH3:51])=[O:52].[Na+:57]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([CH2:39][N:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:6]2[c:11]([c:12]3[c:13]1[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]3)[C:10]([c:19]1[cH:20][c:21]([N:25]3[C:26](=[O:27])[c:28]4[c:29]([cH:33][cH:34][cH:35][cH:36]4)[C:30]3=[O:31])[cH:22][cH:23][cH:24]1)=[N:9][C:8]([CH3:37])([CH3:38])[CH2:7]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 7918Acetic AnhydrideHCID 223440442-[[[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]amino]carbonyl]benzoic acid

생성물 1

HCID 223436732-[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]-1H-isoindole-1,3(2H)-dione

출처 및 근거

ORD 기록
ord-1eb0c090e0ba4faa9d689ca00de2743a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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