Acetic Acid → HCID 75994112, compound

HRID 678309Notes

Reaction equation

HRID 678309 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:34](=[O:35])([O-:36])[O-:37].[C:5]([OH:6])(=[O:7])[CH3:8].[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[n:16]1[n:17][cH:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([C:31]([NH2:32])=[NH:33])[cH:29][cH:30]2)[cH:20]1.[Cl:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[K+:38].[K+:39].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46]>>[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[n:16]1[n:17][cH:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([C:31](=[N:32][C:41](=[O:42])[O:43][CH2:44][CH3:45])[NH2:33])[cH:29][cH:30]2)[cH:20]1

Participants

8

Reactant 7

HCID 176Acetic Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 19660Carbonate IonHCID 24857697HCID 24857697, compound

Product 1

HCID 75994112HCID 75994112, compound

Sources & evidence

ORD record
ord-1e7a4d56f9dd495cad1eb0291ad0b1f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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