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Sodium Ion → 1-(2,2-dimethyl-indan-1-yl)-5-trifluoromethyl-1H-imidazole

HRID 282002
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HRID 282002 반응식
[C:58](=[O:59])([O-:60])[O-:61].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]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.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[F:13][C:14]([c:15]1[cH:16][n:17][cH:18][nH:19]1)([F:20])[F:21].[N:41]([C:42]([O:43][CH3:44])=[O:45])=[N:46][C:47]([O:48][CH3:49])=[O:50].[Na+:62].[Na+:63].[OH2:74].[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>>[CH3:1][C:2]1([CH3:12])[CH:3]([n:19]2[c:15]([C:14]([F:13])([F:20])[F:21])[cH:16][n:17][cH:18]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[CH2:10]1
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11

반응물 10

HCID 923Sodium Ion2회HCID 962WaterHCID 1140TolueneHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 351621
Azodicarboxylic acid dimethyl ester
HCID 5858914(5)-(Trifluoromethyl)imidazole
HCID 109427712,3-Dihydro-2,2-dimethyl-1H-inden-1-ol

생성물 1

HCID 591993601-(2,2-dimethyl-indan-1-yl)-5-trifluoromethyl-1H-imidazole

출처 및 근거

ORD 기록
ord-8eb905fe6f1449a6a53af324b1c2bae9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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