Acetic Acid → Hydrochloric Acid

HRID 111815Notes

Reaction equation

HRID 111815 reaction equation
[C:35]([BH3-:36])#[N:37].[CH3:39][OH:40].[CH3:41][O-:42].[CH3:44][OH:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:22])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([F:21])[cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:38].[Na+:43].[O:23]1[CH2:24][CH2:25][CH2:26][c:27]2[c:28]1[cH:29][n:30][c:31]([CH:33]=[O:34])[cH:32]2>>[ClH:1].[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:22])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([F:21])[cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:33][c:31]1[n:30][cH:29][c:28]2[c:27]([cH:32]1)[CH2:26][CH2:25][CH2:24][O:23]2

Participants

11

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887Methanol2×HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 566403113,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehydeHCID 578151991-[2-(4-amino-1-piperidinyl)ethyl]-7-fluoro-1,5-naphthyridin-2(1H)-one

Product 2

HCID 313Hydrochloric AcidHCID 250320721-[2-[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

Sources & evidence

ORD record
ord-c6aae5b0cf6642c5871cdf646cd537cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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