Carbon Dioxide → HCID 178498476, compound

HRID 316789Notes

Reaction equation

HRID 316789 reaction equation
[C:29](=[O:30])=[O:31].[CH3:32][C:33]#[N:34].[OH:1][c:2]1[cH:3][c:4]([C:12](=[O:13])[O:14][CH3:15])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[c:16]1([CH3:28])[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[N:25]=[C:26]=[O:27])[cH:20][cH:21]1>>[c:2]1(=[N:25][S:22]([c:19]2[cH:18][cH:17][c:16]([CH3:28])[cH:21][cH:20]2)(=[O:23])=[O:24])[cH:3][c:4]([C:12](=[O:13])[O:14][CH3:15])[nH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

5

Reactant 4

HCID 280Carbon DioxideHCID 6342AcetonitrileHCID 77703p-Toluenesulfonyl isocyanateHCID 178498498HCID 178498498, compound

Product 1

HCID 178498476HCID 178498476, compound

Sources & evidence

ORD record
ord-44a73cd4a76c43358e09b8f151b482a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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