2-Butyne-1,4-diol, 1,4-dimethanesulfonate → 4-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]but-2-yn-1-yl methanesulfonate

HRID 158902

Reaction equation

HRID 158902 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:25][S:26](=[O:27])(=[O:28])[O:29][CH2:30][C:31]#[C:32][CH2:33][O:34][S:35]([CH3:36])(=[O:37])=[O:38].[Cs+:23].[Cs+:24].[F:1][c:2]1[c:3]([N:8]2[S:9](=[O:17])(=[O:18])[NH:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([N:8]2[S:9](=[O:17])(=[O:18])[N:10]([CH2:33][C:32]#[C:31][CH2:30][O:29][S:26]([CH3:25])(=[O:27])=[O:28])[c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 180192-Butyne-1,4-diol, 1,4-dimethanesulfonateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 468330941-(2-Fluorophenyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

Product 1

HCID 866212874-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]but-2-yn-1-yl methanesulfonate

Sources & evidence

ORD record
ord-5e276db74a3a4f22b343715a5a9d2454
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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