Methane → Methanesulfonic acid 3-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

HRID 1223783Notes

Reaction equation

HRID 1223783 reaction equation
[CH4:26].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][OH:20])[cH:16]3)[cH:6][cH:7]1.[S:21](=[O:22])(=[O:23])([Cl:24])[Cl:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][O:20][S:21](=[O:22])(=[O:23])[CH3:26])[cH:16]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 297MethaneHCID 24648Sulfuryl chlorideHCID 223139063-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-yn-1-ol

Product 1

HCID 57428081Methanesulfonic acid 3-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

Sources & evidence

ORD record
ord-2fdbe38040b84632bcca043799060beb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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