Acetic Acid → HCID 66603654, compound

HRID 163574Notes

Reaction equation

HRID 163574 reaction equation
[C:46]([OH:47])(=[O:48])[CH3:49].[Cl:43][CH2:44][Cl:45].[NH2:18][c:19]1[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][c:26]([CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:27][cH:28]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:6][CH2:7]1>>[CH:2]1([NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][c:26]([CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:27][cH:28]2)[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 643496Benzyl 4-oxopiperidine-1-carboxylateHCID 60103040Methyl 2-amino-5-((((tert-butoxy)carbonyl)amino)methyl)benzoate

Product 1

HCID 66603654HCID 66603654, compound

Sources & evidence

ORD record
ord-d2441f95b2c84c328152766deddd451a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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