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Benzene → 3-(4-Pyridin-2-yl-imidazol-1-yl)-benzonitrile

HRID 120286
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HRID 120286 반응식
[C:33](=[O:34])([O-:35])[O-:36].[CH:15](=[CH:16][C:17]([CH:18]=[CH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl:67][CH2:68][Cl:69].[Cs+:37].[Cs+:38].[Cu+:84].[I:50][c:51]1[cH:52][c:53]([C:54]#[N:55])[cH:56][cH:57][cH:58]1.[S:76]([O-:77])([C:78]([F:79])([F:80])[F:81])(=[O:82])=[O:83].[c:59]1([CH3:60])[c:61]([CH3:62])[cH:63][cH:64][cH:65][cH:66]1.[cH:1]1[cH:2][c:3]2[cH:4][cH:5][c:6]3[c:7]([c:8]2[n:9][cH:10]1)[n:11][cH:12][cH:13][cH:14]3.[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[n:39]1[c:40](-[c:45]2[n:46][cH:47][nH:48][cH:49]2)[cH:41][cH:42][cH:43][cH:44]1>>[n:39]1[c:40](-[c:45]2[n:46][cH:47][n:48](-[c:51]3[cH:52][c:53]([C:54]#[N:55])[cH:56][cH:57][cH:58]3)[cH:49]2)[cH:41][cH:42][cH:43][cH:44]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 241BenzeneHCID 13181,10-PhenanthrolineHCID 6344DichloromethaneHCID 7237O-XyleneHCID 19660Carbonate IonHCID 95417Dibenzylidene acetoneHCID 104815Copper(1+)HCID 104967Cesium cation
2회
HCID 1443413-Iodobenzonitrile
HCID 2758875Trifluoromethanesulfonate
HCID 178420123HCID 178420123, 화합물

생성물 1

HCID 112420363-(4-Pyridin-2-yl-imidazol-1-yl)-benzonitrile

출처 및 근거

ORD 기록
ord-5d77acf8a8324c6d8548d1aeb1502412
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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