Acetate → HCID 19066366, compound

HRID 176930Notes

Reaction equation

HRID 176930 reaction equation
[CH3:47][C:48]([O-:49])=[O:50].[CH3:51][C:52](=[O:53])[OH:54].[CH3:55][C:56]([OH:57])([CH3:58])[CH3:59].[Cl+:1]([O-:2])[O-:3].[F:10][c:11]1[c:12]([CH:13]=[O:14])[cH:15][cH:16][c:17]([N:19]([CH2:20][C:21]#[CH:22])[CH:23]2[CH2:24][CH2:25][c:26]3[c:27]2[cH:28][c:29]2[c:30](=[O:45])[n:31]([CH2:37][O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[c:32]([CH3:36])[n:33][c:34]2[cH:35]3)[cH:18]1.[NH2:5][S:6](=[O:7])(=[O:8])[OH:9].[Na+:46].[Na+:4]>>[F:10][c:11]1[c:12]([C:13](=[O:14])[OH:49])[cH:15][cH:16][c:17]([N:19]([CH2:20][C:21]#[CH:22])[CH:23]2[CH2:24][CH2:25][c:26]3[c:27]2[cH:28][c:29]2[c:30](=[O:45])[n:31]([CH2:37][O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[c:32]([CH3:36])[n:33][c:34]2[cH:35]3)[cH:18]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ion2×HCID 5987Sulfamic AcidHCID 6386tert-ButanolHCID 197148ChloriteHCID 18925200HCID 18925200, compound

Product 1

HCID 19066366HCID 19066366, compound

Sources & evidence

ORD record
ord-c90e37bf92f5434aae9b244706eb2c8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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