Acetonitrile → HCID 59596841, compound

HRID 663393Notes

Reaction equation

HRID 663393 reaction equation
[CH3:37][O:38][C:39]([CH2:40][Br:41])=[O:42].[CH3:43][C:44]#[N:45].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[c:8]([O:23][CH3:24])[cH:9][c:10]([CH2:13][CH2:14][NH:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:11][cH:12]2)[cH:25][cH:26][cH:27]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[c:8]([O:23][CH3:24])[cH:9][c:10]([CH2:13][CH2:14][N:15]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:40][C:39]([O:38][CH3:37])=[O:42])[cH:11][cH:12]2)[cH:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 60984Methyl bromoacetateHCID 81531DiisopropylethylamineHCID 59596857HCID 59596857, compound

Product 1

HCID 59596841HCID 59596841, compound

Sources & evidence

ORD record
ord-cf9e657868ca44eaa7b1685ad9bd1709
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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