Acetonitrile → HCID 178447474, compound

HRID 316780Notes

Reaction equation

HRID 316780 reaction equation
[C:29]([CH2:30][CH2:31][CH2:32][CH3:33])(=[O:34])[Cl:35].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[CH3:45][C:46]#[N:47].[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][CH3:33])=[O:34])[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 61186Valeryl chlorideHCID 19780634HCID 19780634, compound

Product 1

HCID 178447474HCID 178447474, compound

Sources & evidence

ORD record
ord-3dd6fddd6c44490fb15877577f6818d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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