Dimethyl Sulfoxide → HCID 44450361, compound

HRID 2141093Notes

Reaction equation

HRID 2141093 reaction equation
[CH3:34][S:35]([CH3:36])=[O:37].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)[CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])[n:7]1.[N:25]12[CH2:26][CH2:27][N:28]([CH2:29][CH2:30]1)[CH2:31][CH2:32]2.[Na:22][C:23]#[N:24].[OH2:33]>>[c:2]1([C:23]#[N:24])[n:3][cH:4][cH:5][c:6]([N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([I:16])[cH:14][cH:15]2)[CH2:17][C:18]([CH3:19])([CH3:20])[CH3:21])[n:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 9237DabcoHCID 57714136HCID 57714136, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 44450361HCID 44450361, compound

Sources & evidence

ORD record
ord-138eb7007c0440e9b4d162b400785e21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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