Acetate → HCID 67468474, compound

HRID 2349137Notes

Reaction equation

HRID 2349137 reaction equation
[CH3:40][C:41](=[O:42])[O-:43].[CH3:44][C:45]([O:46][C:47]([CH3:48])=[O:49])=[O:50].[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:35]1)[O:7][C:8]1([c:9]3[n:10]-2[c:11]([CH:14]=[O:15])[cH:12][cH:13]3)[CH2:16][CH2:17][N:18]([C:21]([c:22]2[cH:23][c:24]([O:32][CH3:33])[c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)=[O:34])[CH2:19][CH2:20]1.[Cl:60][CH2:61][Cl:62].[ClH:36].[NH2:37][OH:38].[Na+:39].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[OH2:59]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:35]1)[O:7][C:8]1([c:9]3[n:10]-2[c:11]([C:14]#[N:37])[cH:12][cH:13]3)[CH2:16][CH2:17][N:18]([C:21]([c:22]2[cH:23][c:24]([O:32][CH3:33])[c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)=[O:34])[CH2:19][CH2:20]1

Participants

11

Reactant 10

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 58550852HCID 58550852, compound

Product 1

HCID 67468474HCID 67468474, compound

Sources & evidence

ORD record
ord-55c3ebe8031a48c3a7a91a90ef8da741
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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