Acetic Acid → HCID 46940322, compound

HRID 295916Notes

Reaction equation

HRID 295916 reaction equation
[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6][cH:7][c:8]3[c:9]2[n:10][c:11](-[c:20]2[cH:21][cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27]2)[c:12](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:13]3)[cH:28]1.[CH3:40][C:41](=[O:42])[OH:43].[NH:29]1[CH2:30][CH2:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:38][CH2:39]1.[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6][cH:7][c:8]3[c:9]2[n:10][c:11](-[c:20]2[cH:21][cH:22][c:23]([CH2:24][N:29]4[CH2:30][CH2:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:38][CH2:39]4)[cH:26][cH:27]2)[c:12](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:13]3)[cH:28]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 312751,4-DioxaneHCID 70770Ethyl 4-piperidinecarboxylateHCID 58034334HCID 58034334, compound

Product 1

HCID 46940322HCID 46940322, compound

Sources & evidence

ORD record
ord-c153624b35744024aaeead635f9729b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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