Acetonitrile → HCID 178500415, compound

HRID 98692Notes

Reaction equation

HRID 98692 reaction equation
[CH3:31][CH:32]1[CH2:33][O:34][CH2:35][CH:36]([CH3:38])[NH:37]1.[CH3:48][C:49]#[N:50].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Br:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:37]4[CH:32]([CH3:31])[CH2:33][O:34][CH2:35][CH:36]4[CH3:38])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 88623,5-DimethylmorpholineHCID 81531DiisopropylethylamineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 178500415HCID 178500415, compound

Sources & evidence

ORD record
ord-f801502b1b2649dcb33cada344f11736
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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