Acetonitrile → HCID 13559939, compound

HRID 296015Notes

Reaction equation

HRID 296015 reaction equation
[C:18](=[O:19])([O:20][CH3:21])[c:22]1[c:23]([S:28](=[O:29])(=[O:30])[N:31]=[C:32]=[O:33])[cH:24][cH:25][cH:26][cH:27]1.[CH3:1][O:2][c:3]1[n:4][c:5]([NH2:17])[n:6][c:7]([CH2:9][O:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:8]1.[CH3:34][C:35]#[N:36]>>[CH3:1][O:2][c:3]1[n:4][c:5]([NH:17][C:32]([NH:31][S:28]([c:23]2[c:22]([C:18](=[O:19])[O:20][CH3:21])[cH:27][cH:26][cH:25][cH:24]2)(=[O:29])=[O:30])=[O:33])[n:6][c:7]([CH2:9][O:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:8]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 156281Benzoic acid, 2-(isocyanatosulfonyl)-, methyl esterHCID 13559938HCID 13559938, compound

Product 1

HCID 13559939HCID 13559939, compound

Sources & evidence

ORD record
ord-0d75dd79c47a4192a2fecc06b83b7cf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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