Acetic Acid → HCID 57815324, compound

HRID 2339426Notes

Reaction equation

HRID 2339426 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:48](=[O:49])([O-:50])[OH:51].[CH3:57][C:58](=[O:59])[OH:60].[CH:53]([Cl:54])([Cl:55])[Cl:56].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][cH:13][c:14]3[n:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:47].[Na+:52].[O:22]1[CH2:23][CH2:24][O:25][c:26]2[n:27][cH:28][c:29]([CH:32]=[O:33])[cH:30][c:31]21>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][cH:13][c:14]3[n:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:32][c:29]1[cH:28][n:27][c:26]2[c:31]([cH:30]1)[O:22][CH2:23][CH2:24][O:25]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 2724942TriacetoxyborohydrideHCID 133540342,3-Dihydro[1,4]dioxino[2,3-b]pyridine-7-carbaldehydeHCID 578151991-[2-(4-amino-1-piperidinyl)ethyl]-7-fluoro-1,5-naphthyridin-2(1H)-one

Product 1

HCID 57815324HCID 57815324, compound

Sources & evidence

ORD record
ord-e0f444f9973846e0a3e1617197e82bad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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