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Carbon Dioxide → Benzyl 6-(3-pentoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-carbonyloxy)-nicotinate

HRID 1126314
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HRID 1126314 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[C:14]([CH3:15])([CH3:16])[CH2:17][CH2:18][C:19]2([CH3:20])[CH3:21].[C:22]([Li:23])([CH3:24])([CH3:25])[CH3:26].[CH2:30]([CH2:31][CH2:32][CH2:33][CH3:34])[O:35][c:36]1[c:37]([C:50](=[O:51])[OH:52])[cH:38][c:39]2[c:44]([cH:45]1)[C:43]([CH3:46])([CH3:47])[CH2:42][CH2:41][C:40]2([CH3:48])[CH3:49].[O:27]=[C:28]=[O:29].[OH:53][c:54]1[n:55][cH:56][c:57]([C:58](=[O:59])[O:60][CH2:61][c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1>>[CH2:30]([CH2:31][CH2:32][CH2:33][CH3:34])[O:35][c:36]1[c:37]([C:50](=[O:51])[O:52][c:54]2[n:55][cH:56][c:57]([C:58](=[O:59])[O:60][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)[cH:68][cH:69]2)[cH:38][c:39]2[c:44]([cH:45]1)[C:43]([CH3:46])([CH3:47])[CH2:42][CH2:41][C:40]2([CH3:48])[CH3:49]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 280Carbon DioxideHCID 218467233-Pentoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acidHCID 223454516-Bromo-1,1,4,4-tetramethyl-7-(pentyloxy)-1,2,3,4-tetrahydronaphthaleneHCID 178418306HCID 178418306, 화합물HCID 178418417HCID 178418417, 화합물

생성물 1

HCID 21846721
Benzyl 6-(3-pentoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-carbonyloxy)-nicotinate

출처 및 근거

ORD 기록
ord-677256c0bf834175b59a17bf20d42269
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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