Acetic Acid → HCID 53870822, compound

HRID 1135900Notes

Reaction equation

HRID 1135900 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]([NH2:25])[CH3:26].[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][OH:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[C:7](=[O:15])[C:8](=[CH:11][N:12]([CH3:13])[CH3:14])[CH2:9][S:10]2.[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[C:7](=[O:15])[C:8](=[CH:11][NH:12][N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH3:26])[CH2:9][S:10]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 8028TetrahydrofuranHCID 37482801-Boc-1-methylhydrazineHCID 38135366-chloro-2,3-dihydro-3-dimethylaminomethylene-4H-1-benzothiopyran-4-one

Product 1

HCID 53870822HCID 53870822, compound

Sources & evidence

ORD record
ord-335b2107b8c240dfacbd5d61720378eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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