Acetonitrile → HCID 22709922, compound

HRID 701550Notes

Reaction equation

HRID 701550 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:27]([NH:28][CH2:29][c:30]2[o:31][cH:32][c:33]([OH:37])[c:34](=[O:36])[cH:35]2)=[O:38])[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[nH:18][c:19]3[cH:20][cH:21][c:22]([Cl:26])[cH:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1.[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][C:54]#[N:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:27]([NH:28][CH2:29][c:30]2[o:31][cH:32][c:33]([O:37][C:40]([CH3:39])=[O:41])[c:34](=[O:36])[cH:35]2)=[O:38])[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[nH:18][c:19]3[cH:20][cH:21][c:22]([Cl:26])[cH:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 22710504HCID 22710504, compound

Product 1

HCID 22709922HCID 22709922, compound

Sources & evidence

ORD record
ord-718deb2cd7ea49148a86f420b9694f07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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