Dimethyl Sulfoxide → HCID 44450349, compound

HRID 136294Notes

Reaction equation

HRID 136294 reaction equation
[CH3:39][S:40]([CH3:41])=[O:42].[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]([CH2:16][n:17]3[n:18][cH:19][n:20][cH:21]3)[cH:14][cH:15]2)[CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:7]1.[N:30]12[CH2:31][CH2:32][N:33]([CH2:34][CH2:35]1)[CH2:36][CH2:37]2.[Na:27][C:28]#[N:29].[OH2:38]>>[c:2]1([C:28]#[N:29])[n:3][cH:4][cH:5][c:6]([N:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][n:17]3[n:18][cH:19][n:20][cH:21]3)[cH:14][cH:15]2)[CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 9237DabcoHCID 57714113HCID 57714113, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 44450349HCID 44450349, compound

Sources & evidence

ORD record
ord-d9a507cee71645b990d6c0bfe9755e32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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