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Bicarbonate Ion → HCID 69108688, 화합물

HRID 158271
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HRID 158271 반응식
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:27][CH:28]1[N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH:30]([CH3:34])[CH2:31][NH:32][CH2:33]1.[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25]3)=[O:26])[CH2:13][CH2:14]2)[cH:6][cH:7]1.[Na+:55].[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:22][N:32]4[CH2:31][CH:30]([CH3:34])[N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH:28]([CH3:27])[CH2:33]4)[cH:24][cH:25]3)=[O:26])[CH2:13][CH2:14]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 2724942TriacetoxyborohydrideHCID 222199261-Boc-2,6-dimethylpiperazineHCID 252238924-[3-[4-(4-Fluoroanilino)piperidin-1-yl]-3-oxopropyl]benzaldehyde

생성물 1

HCID 69108688HCID 69108688, 화합물

출처 및 근거

ORD 기록
ord-29ccd03d4fa24b4ab9180a82e557f205
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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