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Bicarbonate Ion → 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

HRID 140142
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인쇄 미리보기

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HRID 140142 반응식
[C:31]([CH2:32][CH2:33][O:35][P:34]([Cl:36])([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])=[O:44])#[N:45].[CH3:1][C:2]([CH:3]=[CH:4][CH:5]=[C:6]([CH3:7])[CH:8]=[CH:9][C:10]1=[C:11]([CH3:12])[CH2:13][CH2:14][CH2:15][C:16]1([CH3:17])[CH3:18])=[CH:19][CH2:20][OH:21].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[P:46]([NH2:47])([O-:48])[O-:49]>>[CH3:1][C:2]([CH:3]=[CH:4][CH:5]=[C:6]([CH3:7])[CH:8]=[CH:9][C:10]1=[C:11]([CH3:12])[CH2:13][CH2:14][CH2:15][C:16]1([CH3:17])[CH3:18])=[CH:19][C:20]([OH:21])=[O:35]
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 10719-cis RetinolHCID 81531DiisopropylethylamineHCID 10080320PhosphoramiditeHCID 159279102-Cyanoethyl-n,n-diisopropylchlorophosphoramidate

생성물 1

HCID 5538
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

출처 및 근거

ORD 기록
ord-7650fa994a4947e1bc0a3d4ecf1bd0e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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