Chloroxine → HCID 13338830, compound

HRID 1128106Notes

Reaction equation

HRID 1128106 reaction equation
[CH2:30]([C:31]([CH3:32])=[O:33])[CH3:34].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[c:9]([OH:13])[c:10]([Cl:12])[cH:11]1.[N:14](=[C:15]=[O:16])[CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22]>>[Cl:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][n:7][c:8]2[c:9]([O:13][C:15]([NH:14][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])=[O:16])[c:10]([Cl:12])[cH:11]1

Participants

5

Reactant 4

HCID 2722ChloroxineHCID 6569Methyl Ethyl KetoneHCID 8471TriethylamineHCID 76283Ethyl isocyanatoacetate

Product 1

HCID 13338830HCID 13338830, compound

Sources & evidence

ORD record
ord-d52af7d45243448386c2e5e8ddbc791f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…