Acetonitrile → HCID 13175954, compound

HRID 1549294Notes

Reaction equation

HRID 1549294 reaction equation
[CH3:39][S:40](=[O:41])(=[O:42])[OH:43].[CH3:44][C:45]#[N:46].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([c:25]2[cH:26][n:27][cH:28][s:29]2)[CH2:23][S:22][CH:21]2[N:18]1[C:19](=[O:38])[CH:20]2[NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15](=[O:16])[C:17]1=[C:24]([c:25]2[cH:26][n:27][cH:28][s:29]2)[CH2:23][S:22][CH:21]2[N:18]1[C:19](=[O:38])[CH:20]2[NH2:30]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 13175941HCID 13175941, compound

Product 1

HCID 13175954HCID 13175954, compound

Sources & evidence

ORD record
ord-5125d7ed540543a9adaf229a86e45fc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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