Acetonitrile → HCID 13369444, compound

HRID 189744Notes

Reaction equation

HRID 189744 reaction equation
[C:12](=[O:13])([O:14][CH3:15])[c:16]1[c:17]([S:22](=[O:23])(=[O:24])[N:25]=[C:26]=[O:27])[cH:18][cH:19][cH:20][cH:21]1.[CH3:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[o:8][c:9]([CH3:11])[cH:10]2.[CH3:28][C:29]#[N:30]>>[CH3:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:30][C:26]([NH:25][S:22]([c:17]3[c:16]([C:12](=[O:13])[O:14][CH3:15])[cH:21][cH:20][cH:19][cH:18]3)(=[O:23])=[O:24])=[O:27])[n:7]1)[o:8][c:9]([CH3:11])[cH:10]2

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 156281Benzoic acid, 2-(isocyanatosulfonyl)-, methyl esterHCID 20435498HCID 20435498, compound

Product 1

HCID 13369444HCID 13369444, compound

Sources & evidence

ORD record
ord-c42a513ca1144204bd13675d97ae6b0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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