Dichloromethane → Isopropyl 4-fluoro-2-methyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate

HRID 123313

Reaction equation

HRID 123313 reaction equation
[CH2:37]([Cl:38])[Cl:39].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:5][C:6]1=[C:11]([C:12](=[O:13])[OH:14])[S:10][CH2:9][CH2:8][O:7]1.[NH2:15][c:16]1[c:17]([F:29])[cH:18][c:19]([CH3:28])[c:20]([C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26])[cH:27]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:5][C:6]1=[C:11]([C:12](=[O:14])[NH:15][c:16]2[c:17]([F:29])[cH:18][c:19]([CH3:28])[c:20]([C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26])[cH:27]2)[S:10][CH2:9][CH2:8][O:7]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 5399462-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acidHCID 214702571-Methylethyl 5-amino-4-fluoro-2-methylbenzoate

Product 1

HCID 465811Isopropyl 4-fluoro-2-methyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate

Sources & evidence

ORD record
ord-7e5ffd799c664a0dbbfce1047de7de3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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