Acetate → HCID 21701345, compound

HRID 2161722Notes

Reaction equation

HRID 2161722 reaction equation
[C:53](=[O:54])([O-:55])[OH:56].[CH3:42][C:43](=[O:44])[O-:45].[CH3:46][C:47]([O:48][C:49](=[O:50])[CH3:51])=[O:52].[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:38].[N:1]1([C:9](=[O:10])[CH2:11][N:12]2[C:13](=[O:37])[CH:14]([NH:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]3)[N:15]=[C:16]([CH:24]=[O:25])[c:17]3[c:18]2[c:19]([CH3:23])[cH:20][cH:21][cH:22]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[NH2:39][OH:40].[Na+:41].[Na+:57]>>[N:1]1([C:9](=[O:10])[CH2:11][N:12]2[C:13](=[O:37])[CH:14]([NH:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]3)[N:15]=[C:16]([C:24]#[N:39])[c:17]3[c:18]2[c:19]([CH3:23])[cH:20][cH:21][cH:22]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 21701407HCID 21701407, compound

Product 1

HCID 21701345HCID 21701345, compound

Sources & evidence

ORD record
ord-8db6d5e1e69c4bfc838af931ddea3bc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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