Dimethyl Sulfoxide → HCID 12149006, compound

HRID 286017Notes

Reaction equation

HRID 286017 reaction equation
[CH3:35][S:36]([CH3:37])=[O:38].[Cl:1][c:2]1[c:3]([C:21]#[N:22])[c:4]([C:17]([F:18])([F:19])[F:20])[n:5][n:6]1-[c:7]1[n:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1.[Cs+:33].[F-:32].[F:23][c:24]1[c:25]([CH2:30][SH:31])[cH:26][cH:27][cH:28][cH:29]1.[OH2:34]>>[c:2]1([S:31][CH2:30][c:25]2[c:24]([F:23])[cH:29][cH:28][cH:27][cH:26]2)[c:3]([C:21]#[N:22])[c:4]([C:17]([F:18])([F:19])[F:20])[n:5][n:6]1-[c:7]1[n:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 28179Fluoride IonHCID 104967Cesium cationHCID 5221752-Fluorobenzyl mercaptanHCID 12135150HCID 12135150, compound

Product 1

HCID 12149006HCID 12149006, compound

Sources & evidence

ORD record
ord-3c3b7075ed214e4ea8baf2b49b75307d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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