Bicarbonate Ion → HCID 178430295, compound

HRID 677380Notes

Reaction equation

HRID 677380 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:27][CH:28]1[N:29]([C:34](=[O:35])[O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:30][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+:57].[Na+:62].[O-:58][C:59]([OH:60])=[O:61]>>[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][CH2:30][N:29]([C:34](=[O:35])[O:36][CH2:37][c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[CH:28]([CH3:27])[CH2:33]4)[cH:24][cH:25]3)=[O:26])[CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 2724942TriacetoxyborohydrideHCID 22507589Benzyl 2-methylpiperazine-1-carboxylateHCID 252238924-[3-[4-(4-Fluoroanilino)piperidin-1-yl]-3-oxopropyl]benzaldehyde

Product 1

HCID 178430295HCID 178430295, compound

Sources & evidence

ORD record
ord-e3f8233caa8c4f1484754f0f37d6c8dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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