Water → [(5Z)-2-tert-butyl-5-{[(5-chloro-2-methoxyphenyl)carbonyl]imino}-2,5-dihydroisothiazol-4-yl]methyl methanesulfonate

HRID 113630Notes

Reaction equation

HRID 113630 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:12][C:13]([c:14]2[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)=[O:23])[c:8]([CH2:10][OH:11])[cH:9]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][S:32]([Cl:33])(=[O:34])=[O:35].[Cl:36][CH2:37][Cl:38].[OH2:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:12][C:13]([c:14]2[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)=[O:23])[c:8]([CH2:10][O:11][S:32]([CH3:31])(=[O:34])=[O:35])[cH:9]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 25173806N-[(5Z)-2-tert-butyl-4-(hydroxymethyl)isothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide

Product 1

HCID 86626352[(5Z)-2-tert-butyl-5-{[(5-chloro-2-methoxyphenyl)carbonyl]imino}-2,5-dihydroisothiazol-4-yl]methyl methanesulfonate

Sources & evidence

ORD record
ord-9c577f2eeee5499b868775f30f553553
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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