Acetic Acid → HCID 67705415, compound

HRID 281999Notes

Reaction equation

HRID 281999 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([O:15][c:16]4[c:17]([cH:21][c:22]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:23][cH:24]4)[C:18](=[O:20])[CH2:19]3)[CH2:30][CH2:31]2)[cH:7][cH:8]1.[C:36](=[O:37])([O-:38])[OH:39].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:32][C:33](=[O:34])[OH:35].[Na+:40].[OH2:46]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([O:15][c:16]4[c:17]([cH:21][c:22]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:23][cH:24]4)[C:18](=[O:20])[C:19]3=[CH2:32])[CH2:30][CH2:31]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 10478362HCID 10478362, compound

Product 1

HCID 67705415HCID 67705415, compound

Sources & evidence

ORD record
ord-69b8c68ac5e24269b80cc2fd7fbe7a9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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