Acetic Acid → 3-[3-(2-Fluorophenoxymethyl)pyrrolidino]methyl-2-methoxypyrazine

HRID 1563248Notes

Reaction equation

HRID 1563248 reaction equation
[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH3:1][O:2][c:3]1[c:4]([CH:9]=[O:10])[n:5][cH:6][cH:7][n:8]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:45][CH2:46][Cl:47].[F:11][c:12]1[c:13]([O:14][CH2:15][CH:16]2[CH2:17][NH:18][CH2:19][CH2:20]2)[cH:21][cH:22][cH:23][cH:24]1.[Na+:38].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[CH3:1][O:2][c:3]1[c:4]([CH2:9][N:18]2[CH2:17][CH:16]([CH2:15][O:14][c:13]3[c:12]([F:11])[cH:24][cH:23][cH:22][cH:21]3)[CH2:20][CH2:19]2)[n:5][cH:6][cH:7][n:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 158805973-Methoxypyrazine-2-carbaldehydeHCID 222485793-(2-Fluorophenoxymethyl)pyrrolidine

Product 1

HCID 222479393-[3-(2-Fluorophenoxymethyl)pyrrolidino]methyl-2-methoxypyrazine

Sources & evidence

ORD record
ord-9518384e006b469594954dbc15f46d8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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