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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Tetrahydrofuran → N-(2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]acetamide

HRID 157321
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HRID 157321 반응식
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:25][c:26]1[cH:27][c:28]2[c:29]([cH:30][n:31]1)[CH2:32][C:33]1([CH2:34]2)[C:35](=[O:43])[NH:36][c:37]2[n:38][cH:39][cH:40][cH:41][c:42]21.[O:1]=[C:2]1[N:3]([CH2:21][C:22](=[O:23])[OH:24])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][CH2:12][N:13]([CH2:16][C:17]([F:18])([F:19])[F:20])[CH2:14][CH2:15]2>>[O:1]=[C:2]1[N:3]([CH2:21][C:22](=[O:24])[NH:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][n:31]2)[CH2:32][C:33]2([CH2:34]3)[C:35](=[O:43])[NH:36][c:37]3[n:38][cH:39][cH:40][cH:41][c:42]32)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][CH2:12][N:13]([CH2:16][C:17]([F:18])([F:19])[F:20])[CH2:14][CH2:15]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 184493632-Oxo-1'-(2,2,2-trifluoroethyl)-spiro[indoline-3,4'-piperidine]-1-acetic acidHCID 57974077(+/-)-3-amino-5,7-dihydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

생성물 1

HCID 59279590
N-(2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)-2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]acetamide

출처 및 근거

ORD 기록
ord-41a35567477e426bbe5d24753abb81fa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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