Acetonitrile → HCID 20430454, compound

HRID 2322786Notes

Reaction equation

HRID 2322786 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[s:12][c:13]([C:16]3=[C:17]([C:33](=[O:34])[O:35][CH:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[N:18]4[C:19](=[O:32])[CH:20]([NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH:21]4[S:22][CH2:23]3)[cH:14][n:15]2)[cH:9][cH:10]1.[CH3:49][S:50](=[O:51])(=[O:52])[OH:53].[CH3:54][C:55]#[N:56]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[s:12][c:13]([C:16]3=[C:17]([C:33](=[O:34])[O:35][CH:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[N:18]4[C:19](=[O:32])[CH:20]([NH2:24])[CH:21]4[S:22][CH2:23]3)[cH:14][n:15]2)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 20430406HCID 20430406, compound

Product 1

HCID 20430454HCID 20430454, compound

Sources & evidence

ORD record
ord-fe3d7a9c41b84b5497d0ac0777eadc3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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