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Bicarbonate Ion → 3-(2,2-dimethyl-indan-1-yl)-3H-imidazole-4-carboxylic acid methyl ester

HRID 2332802
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HRID 2332802 반응식
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:1][C:2]1([CH3:12])[CH:3]([OH:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[CH2:10]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Na+:64].[O-:60][C:61]([OH:62])=[O:63].[O:41]=[C:42]([O:43][CH:44]([CH3:45])[CH3:46])[N:47]=[N:48][C:49]([O:50][CH:51]([CH3:52])[CH3:53])=[O:54].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1.[nH:13]1[cH:14][n:15][c:16]([C:18](=[O:19])[O:20][CH3:21])[cH:17]1>>[CH3:1][C:2]1([CH3:12])[CH:3]([n:15]2[cH:14][n:13][cH:17][c:16]2[C:18](=[O:19])[O:20][CH3:21])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[CH2:10]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 8

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 109427712,3-Dihydro-2,2-dimethyl-1H-inden-1-ol
HCID 178418785
HCID 178418785, 화합물

생성물 1

HCID 218730963-(2,2-dimethyl-indan-1-yl)-3H-imidazole-4-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-1117d8fab9b14967ae1b609918742d8f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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