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Potassium Cation → 1-[4-(1,3-Benzodioxol-5-yl)-3-cyclohexen-1-yl]-4-[(2,5-difluorophenyl)methyl]piperazine

HRID 2323249
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HRID 2323249 반응식
[F:1][c:2]1[c:3]([CH2:4][Br:5])[cH:6][c:7]([F:10])[cH:8][cH:9]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:11]1[CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][c:18]([C:20]1=[CH:21][CH2:22][CH:23]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[CH2:24][CH2:25]1)[cH:19]2>>[F:1][c:2]1[c:3]([CH2:4][N:29]2[CH2:28][CH2:27][N:26]([CH:23]3[CH2:22][CH:21]=[C:20]([c:18]4[cH:17][cH:16][c:15]5[c:14]([cH:19]4)[O:13][CH2:12][O:11]5)[CH2:25][CH2:24]3)[CH2:31][CH2:30]2)[cH:6][c:7]([F:10])[cH:8][cH:9]1
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반응물 4

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 5228302-(Bromomethyl)-1,4-difluorobenzeneHCID 221220621-[4-(1,3-Benzodioxol-5-yl)-3-cyclohexen-1-yl]piperazine

생성물 1

HCID 221220701-[4-(1,3-Benzodioxol-5-yl)-3-cyclohexen-1-yl]-4-[(2,5-difluorophenyl)methyl]piperazine

출처 및 근거

ORD 기록
ord-bad863faa9984764a778f65c4f09f52b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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