Acetonitrile → HCID 178460443, compound

HRID 158147Notes

Reaction equation

HRID 158147 reaction equation
[C:29]([CH2:30][CH3:31])(=[O:32])[Cl:33].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:34][N:35]([CH3:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[CH3:43][C:44]#[N:45].[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][CH3:31])=[O:32])[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 62324Propionyl chlorideHCID 19780634HCID 19780634, compound

Product 1

HCID 178460443HCID 178460443, compound

Sources & evidence

ORD record
ord-7f4a4e4f135d4b45a6290492f2486f37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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