Acetonitrile → HCID 178472117, compound

HRID 197578Notes

Reaction equation

HRID 197578 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:15])[c:5]([CH2:9][CH:10]=[CH:11][C:12](=[O:13])[OH:14])[c:6]([CH3:8])[cH:7]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50].[NH2:16][c:17]1[cH:18][c:19]([CH:23]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:20][cH:21][cH:22]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:15])[c:5]([CH2:9][CH:10]=[CH:11][C:12](=[O:14])[NH:16][c:17]2[cH:18][c:19]([CH:23]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:20][cH:21][cH:22]2)[c:6]([CH3:8])[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 688194804-(4-Bromo-2,6-dimethylphenyl)but-2-enoic acidHCID 76580846Ethyl 3-(3-aminophenyl)-3-(phenylmethoxycarbonylamino)propanoate

Product 1

HCID 178472117HCID 178472117, compound

Sources & evidence

ORD record
ord-731135211b9746da897d7805eedaf7cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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