Acetic Acid → 1-(2-(3-(((2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)amino)methyl)pyrrolidin-1-yl)ethyl)-7-fluoro-1,5-naphthyridin-2(1H)-one

HRID 198777Notes

Reaction equation

HRID 198777 reaction equation
[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH3:20][OH:21].[CH3:22][O-:23].[CH3:49][OH:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][C:58](=[O:59])[OH:60].[ClH:1].[F:25][c:26]1[cH:27][n:28][c:29]2[cH:30][cH:31][c:32](=[O:39])[n:33]([CH2:36][CH:37]=[O:38])[c:34]2[cH:35]1.[Na+:24].[Na+:43].[Na+:48].[O:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][n:8][c:9]([CH2:12][NH:13][CH2:14][CH:15]3[CH2:16][NH:17][CH2:18][CH2:19]3)[cH:10][c:11]21>>[O:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][n:8][c:9]([CH2:12][NH:13][CH2:14][CH:15]3[CH2:16][N:17]([CH2:37][CH2:36][n:33]4[c:32](=[O:39])[cH:31][cH:30][c:29]5[n:28][cH:27][c:26]([F:25])[cH:35][c:34]54)[CH2:18][CH2:19]3)[cH:10][c:11]21

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 578152751,5-Naphthyridine-1(2H)-acetaldehyde, 7-fluoro-2-oxo-HCID 57815392N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-pyrrolidin-3-ylmethanamine

Product 1

HCID 578153361-(2-(3-(((2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)amino)methyl)pyrrolidin-1-yl)ethyl)-7-fluoro-1,5-naphthyridin-2(1H)-one

Sources & evidence

ORD record
ord-1e216dbc75b04154b65a60ac5fb18b62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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