Acetonitrile → HCID 178445451, compound

HRID 122489Notes

Reaction equation

HRID 122489 reaction equation
[C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])(=[O:35])[Cl:36].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:37][N:38]([CH3:39])[c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1.[CH3:46][C:47]#[N:48].[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][CH3:34])=[O:35])[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 67340Hexanoyl chlorideHCID 19780634HCID 19780634, compound

Product 1

HCID 178445451HCID 178445451, compound

Sources & evidence

ORD record
ord-34abf27a9218475b8e4031966a561978
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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