Acetic Acid → HCID 57815495, compound

HRID 2124072Notes

Reaction equation

HRID 2124072 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[n:9]([CH2:14][CH:15]=[O:16])[c:10](=[O:13])[cH:11][cH:12]2.[CH3:68][C:69](=[O:70])[OH:71].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cl:61][CH2:62][Cl:63].[Na+:55].[Na+:60].[O:17]1[CH2:18][CH2:19][O:20][c:21]2[cH:22][n:23][c:24]([CH2:27][N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:25][c:26]21>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[n:9]([CH2:14][CH2:15][N:39]1[CH2:38][CH2:37][CH:36]([N:28]([CH2:27][c:24]3[n:23][cH:22][c:21]4[c:26]([cH:25]3)[O:17][CH2:18][CH2:19][O:20]4)[C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:41][CH2:40]1)[c:10](=[O:13])[cH:11][cH:12]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815319HCID 57815319, compoundHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 57815495HCID 57815495, compound

Sources & evidence

ORD record
ord-998ac4ecc5ff46549126968804d28940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…