Acetic Acid → 11-Acetyl-8-carbamoyloxymethyl-4-formyl-6-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate

HRID 681795Notes

Reaction equation

HRID 681795 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([CH:31]=[O:32])[cH:8][c:9]2[c:17]1[CH:16]([CH2:18][O:19][C:20]([NH2:21])=[O:22])[C:15]1([O:24][C:25]([CH3:26])=[O:27])[CH:14]3[CH:12]([CH2:11][N:10]2[O:23]1)[N:13]3[C:28]([CH3:29])=[O:30].[C:33](=[O:34])([OH:35])[O-:36].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43].[Na+:37]>>[OH:4][c:5]1[cH:6][c:7]([CH:31]=[O:32])[cH:8][c:9]2[c:17]1[CH:16]([CH2:18][O:19][C:20]([NH2:21])=[O:22])[C:15]1([O:24][C:25]([CH3:26])=[O:27])[CH:14]3[CH:12]([CH2:11][N:10]2[O:23]1)[N:13]3[C:28]([CH3:29])=[O:30]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 133974FR 66973

Product 1

HCID 984418511-Acetyl-8-carbamoyloxymethyl-4-formyl-6-hydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate

Sources & evidence

ORD record
ord-aebb4f7f0e9041f2ba126e0e40a16a8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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