Water → 1-[(5Z)-2-tert-butyl-5-{[(5-chloro-2-methoxyphenyl)carbonyl]imino}-2,5-dihydroisothiazol-4-yl]ethyl methanesulfonate

HRID 1223389Notes

Reaction equation

HRID 1223389 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:13][C:14]([c:15]2[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([Cl:21])[cH:20]2)=[O:24])[c:8]([CH:10]([CH3:11])[OH:12])[cH:9]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][S:33]([Cl:34])(=[O:35])=[O:36].[Cl:38][CH2:39][Cl:40].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[s:6][c:7](=[N:13][C:14]([c:15]2[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([Cl:21])[cH:20]2)=[O:24])[c:8]([CH:10]([CH3:11])[O:12][S:33]([CH3:32])(=[O:35])=[O:36])[cH:9]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 46202455HCID 46202455, compound

Product 1

HCID 866452981-[(5Z)-2-tert-butyl-5-{[(5-chloro-2-methoxyphenyl)carbonyl]imino}-2,5-dihydroisothiazol-4-yl]ethyl methanesulfonate

Sources & evidence

ORD record
ord-cd37db3a817e48b285072fd08c46925c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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