Ethanol → HCID 86628364, compound

HRID 2326647Notes

Reaction equation

HRID 2326647 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][C:13]2([OH:27])[CH2:14][n:15]3[c:16](=[O:26])[cH:17][n:18][c:19]4[cH:20][cH:21][c:22]([F:25])[c:23]2[c:24]34)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:59][CH2:60][OH:61].[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[O:28]1[CH2:29][CH2:30][O:31][c:32]2[cH:33][n:34][c:35]([CH2:38][N:39]([C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[cH:36][c:37]21>>[CH2:12]([C:13]1([OH:27])[CH2:14][n:15]2[c:16](=[O:26])[cH:17][n:18][c:19]3[cH:20][cH:21][c:22]([F:25])[c:23]1[c:24]23)[N:50]1[CH2:49][CH2:48][CH:47]([N:39]([CH2:38][c:35]2[n:34][cH:33][c:32]3[c:37]([cH:36]2)[O:28][CH2:29][CH2:30][O:31]3)[C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH2:52][CH2:51]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamateHCID 86628365HCID 86628365, compound

Product 1

HCID 86628364HCID 86628364, compound

Sources & evidence

ORD record
ord-feac5677aec948f0ab4d283af7874810
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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