Acetic Acid → HCID 21074240, compound

HRID 320091Notes

Reaction equation

HRID 320091 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH3:20])[cH:15][n:16]2)[cH:21][c:22]([O:24][CH2:25][c:26]2[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]2)[cH:23]1.[C:37](=[O:38])([OH:39])[O-:40].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:33][O-:34].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][C:55](=[O:56])[OH:57].[ClH:36].[Na+:35].[Na+:41].[OH2:47]>>[OH:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH3:20])[cH:15][n:16]2)[cH:21][c:22]([O:24][CH2:25][c:26]2[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]2)[cH:23]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 3826051MethoxideHCID 21074238HCID 21074238, compound

Product 1

HCID 21074240HCID 21074240, compound

Sources & evidence

ORD record
ord-b8753519105645449babfd118b050dc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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