Acetonitrile → HCID 67335045, compound

HRID 1136330Notes

Reaction equation

HRID 1136330 reaction equation
[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH2:45]([Cl:46])[Cl:47].[CH3:48][C:49]#[N:50].[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].[nH:31]1[n:32][cH:33][n:34][cH:35]1>>[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:34]4[cH:33][n:32][n:31][cH:35]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 92571H-1,2,4-TriazoleHCID 81531DiisopropylethylamineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 67335045HCID 67335045, compound

Sources & evidence

ORD record
ord-c6e3c08494394fbd9a08872d246ab1cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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