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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid → [2-[[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxyphenyl] butanoate

HRID 179424
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HRID 179424 반응식
[C:34]([CH2:35][CH2:36][CH3:37])(=[O:38])[O:39][c:40]1[c:41]([NH2:47])[cH:42][cH:43][c:44]([OH:46])[cH:45]1.[CH3:12][C:13]([CH:14]=[CH:15][C:16]1=[C:17]([CH3:18])[CH2:19][CH2:20][CH2:21][C:22]1([CH3:23])[CH3:24])=[CH:25][CH:26]=[CH:27][C:28]([CH3:29])=[CH:30][C:31]([OH:32])=[O:33].[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH3:12][C:13]([CH:14]=[CH:15][C:16]1=[C:17]([CH3:18])[CH2:19][CH2:20][CH2:21][C:22]1([CH3:23])[CH3:24])=[CH:25][CH:26]=[CH:27][C:28]([CH3:29])=[CH:30][C:31](=[O:33])[NH:47][c:41]1[c:40]([O:39][C:34]([CH2:35][CH2:36][CH3:37])=[O:38])[cH:45][c:44]([OH:46])[cH:43][cH:42]1
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참가 물질

6

반응물 5

HCID 55383,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acidHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 690238032-Amino-5-hydroxy-phenyl butanoate

생성물 1

HCID 85116379
[2-[[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxyphenyl] butanoate

출처 및 근거

ORD 기록
ord-92ec3b936ac54a0197188224924f6ac2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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