Acetonitrile → HCID 19874877, compound

HRID 1131854Notes

Reaction equation

HRID 1131854 reaction equation
[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH:15]([CH3:16])[Br:17])=[O:18])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42]#[N:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[c:19]1([CH:25]([CH2:26][NH2:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH:15]([CH3:16])[NH:27][CH2:26][CH:25]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:18])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 775752,2-DiphenylethylamineHCID 19874944HCID 19874944, compound

Product 1

HCID 19874877HCID 19874877, compound

Sources & evidence

ORD record
ord-f973b39c2f064dcb8c7e73c1116d30df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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