Acetate → HCID 76591490, compound

HRID 211357Notes

Reaction equation

HRID 211357 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH3:1][O:2][c:3]1[c:4]([CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([n:23]3[cH:24][cH:25][c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[NH2:34])[cH:30][c:31]34)[CH2:21][CH2:22]2)[cH:5][c:6]2[c:7]([cH:14]1)[O:8][CH2:9][CH2:10][CH2:11][C:12]2=[O:13].[CH3:40][C:41](=[O:42])[O-:43].[CH3:60][OH:61].[CH:51]([Cl:52])([Cl:53])[Cl:54].[ClH:35].[Na+:39].[Na+:45].[Na+:50].[O:36]([CH3:37])[NH2:38].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:44]>>[CH3:1][O:2][c:3]1[c:4]([CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([n:23]3[cH:24][cH:25][c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[NH2:34])[cH:30][c:31]34)[CH2:21][CH2:22]2)[cH:5][c:6]2[c:7]([cH:14]1)[O:8][CH2:9][CH2:10][CH2:11][C:12]2=[N:38][O:36][CH3:37]

Participants

11

Reactant 10

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 961HydroxideHCID 4113O-MethylhydroxylamineHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 57682902HCID 57682902, compound

Product 1

HCID 76591490HCID 76591490, compound

Sources & evidence

ORD record
ord-ef503c80ff92432ca6e963cd839792ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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