Acetonitrile → HCID 13175953, compound

HRID 691488Notes

Reaction equation

HRID 691488 reaction equation
[CH3:46][S:47](=[O:48])(=[O:49])[OH:50].[CH3:51][C:52]#[N:53].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([C:13]2=[C:14]([C:30](=[O:31])[O:32][CH:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[N:15]3[C:16](=[O:29])[CH:17]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:18]3[S:19][CH2:20]2)[cH:11][n:12]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[s:9][c:10]([C:13]2=[C:14]([C:30](=[O:31])[O:32][CH:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[N:15]3[C:16](=[O:29])[CH:17]([NH2:21])[CH:18]3[S:19][CH2:20]2)[cH:11][n:12]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 13175942HCID 13175942, compound

Product 1

HCID 13175953HCID 13175953, compound

Sources & evidence

ORD record
ord-8322e12710a24b46b77c2f551f327e02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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