Acetonitrile → HCID 178444190, compound

HRID 2155312Notes

Reaction equation

HRID 2155312 reaction equation
[C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])(=[O:36])[Cl:37].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[CH3:47][C:48]#[N:49].[CH:1]1([CH2:4][NH:5][c:6]2[c:7]3[n:8][cH:9][n:10]([CH:15]4[O:16][CH:17]([CH2:20][OH:21])[CH2:18][CH2:19]4)[c:11]3[n:12][cH:13][n:14]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][NH:5][c:6]2[c:7]3[n:8][cH:9][n:10]([CH:15]4[O:16][CH:17]([CH2:20][O:21][C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])=[O:36])[CH2:18][CH2:19]4)[c:11]3[n:12][cH:13][n:14]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 17313Heptanoyl chlorideHCID 19780634HCID 19780634, compound

Product 1

HCID 178444190HCID 178444190, compound

Sources & evidence

ORD record
ord-ce8d3a6325494ed3bfe2e346be72146d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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