Acetonitrile → HCID 178445183, compound

HRID 2335251Notes

Reaction equation

HRID 2335251 reaction equation
[CH3:16][n:17]1[cH:18][cH:19][c:20]([NH:21][C:22](=[O:23])[CH:24]([N:25]2[C:30](=[O:46])[CH:31]=[C:32]([O:34][c:35]3[cH:36][c:37]([CH2:41][C:42]([CH3:43])([CH3:44])[OH:45])[cH:38][cH:39][cH:40]3)[CH2:33]2)[CH2:26][CH:27]([CH3:28])[CH3:29])[n:47]1.[CH3:57][C:58]#[N:59].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[n:1]1[c:2]([NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[NH2:14])=[O:15])[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([NH:7][C:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[N:14]2[C:30](=[O:46])[CH:31]=[C:32]([O:34][c:35]3[cH:36][c:37]([CH2:41][C:42]([CH3:43])([CH3:44])[OH:45])[cH:38][cH:39][cH:40]3)[CH2:33]2)=[O:15])[cH:3][n:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 76893254HCID 76893254, compoundHCID 178445176HCID 178445176, compound

Product 1

HCID 178445183HCID 178445183, compound

Sources & evidence

ORD record
ord-3b09a850b5be4b4ca5222cd9449160af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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