Acetic Acid → ethyl 1-(2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)-4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

HRID 149774

Reaction equation

HRID 149774 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([O-:56])[OH:57].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9](=[O:27])[n:10]([CH2:13][CH2:14][CH2:15][C:16]3([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:11]2[cH:12]1.[CH3:64][C:65](=[O:66])[OH:67].[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:68][CH2:69][Cl:70].[Na+:53].[Na+:58].[O:28]1[CH2:29][CH2:30][O:31][c:32]2[cH:33][n:34][c:35]([CH:38]=[O:39])[cH:36][c:37]21.[OH2:63]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9](=[O:27])[n:10]([CH2:13][CH2:14][CH2:15][C:16]3([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:17][CH2:18][N:19]([CH2:38][c:35]4[n:34][cH:33][c:32]5[c:37]([cH:36]4)[O:28][CH2:29][CH2:30][O:31]5)[CH2:20][CH2:21]3)[c:11]2[cH:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 218736682,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeHCID 59398137ethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

Product 1

HCID 59398233ethyl 1-(2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)-4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

Sources & evidence

ORD record
ord-7e1d5a0547514837901f0a6ea8c6e696
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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