Methane → Methanesulfonic acid 5-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

HRID 2334534Notes

Reaction equation

HRID 2334534 reaction equation
[CH4:28].[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][CH2:20][CH2:21][OH:22])[cH:16]3)[cH:6][cH:7]1.[S:23](=[O:24])(=[O:25])([Cl:26])[Cl:27]>>[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][CH2:20][CH2:21][O:22][S:23](=[O:24])(=[O:25])[CH3:28])[cH:16]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 297MethaneHCID 24648Sulfuryl chlorideHCID 223140955-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-yn-1-ol

Product 1

HCID 57428083Methanesulfonic acid 5-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

Sources & evidence

ORD record
ord-cde589de77ac4bae81a04fa021f3060f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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