Acetonitrile → HCID 178482223, compound

HRID 146829Notes

Reaction equation

HRID 146829 reaction equation
[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[CH3:48][C:49]#[N:50].[F:1][c:2]1[c:3]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH:20]([NH:32][CH3:33])[CH:21]([NH:23][C:24](=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[CH2:22]2)[cH:4][cH:5][c:6](-[n:8]2[c:9](=[O:14])[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[S:43](=[O:44])(=[O:45])([CH3:46])[Cl:47]>>[F:1][c:2]1[c:3]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH:20]([N:32]([CH3:33])[S:43](=[O:44])(=[O:45])[CH3:46])[CH:21]([NH:23][C:24](=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[CH2:22]2)[cH:4][cH:5][c:6](-[n:8]2[c:9](=[O:14])[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 178482222HCID 178482222, compound

Product 1

HCID 178482223HCID 178482223, compound

Sources & evidence

ORD record
ord-f14d4096f0cf4edf865c4a2f6ff8a52b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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