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Potassium Cation → 6-[4-(1-Phenylmethoxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile

HRID 177579
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HRID 177579 반응식
[Br:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][n:18][cH:19][cH:20]2)[n:4][n:5](-[c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:6]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][N:29]=[C:30]1[CH2:31][CH2:32][c:33]2[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][c:38]21.[CH3:48][C:49]#[N:50].[K+:46].[K+:47].[OH2:51]>>[c:2]1(-[c:35]2[cH:34][c:33]3[c:38]([cH:37][cH:36]2)[C:30](=[N:29][O:28][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:31][CH2:32]3)[c:3](-[c:15]2[cH:16][cH:17][n:18][cH:19][cH:20]2)[n:4][n:5](-[c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:6]1
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 689208226-(4-bromo-3-(pyridin-4-yl)-1H-pyrazol-1-yl)nicotinonitrileHCID 151535844(1-Phenylmethoxyimino-2,3-dihydroinden-5-yl)boronic acid

생성물 1

HCID 91230354
6-[4-(1-Phenylmethoxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-14068709cdb54cc2ad06ca5bf57b5ff0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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