Ethanol → Pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate

HRID 300825

Reaction equation

HRID 300825 reaction equation
[CH2:38]([Cl:39])[Cl:40].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:41][CH2:42][OH:43].[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[cH:17][cH:18][c:19]([Cl:30])[c:20]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:29]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[cH:17][cH:18][c:19]([Cl:30])[c:20]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:29]2)[S:10][CH2:9][CH2:8][O:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 5399462-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acidHCID 21470243Pentyl 5-amino-2-chlorobenzoate

Product 1

HCID 465812Pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate

Sources & evidence

ORD record
ord-39e5b51283144e4195bb9bf342ab6774
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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