Dichloromethane → tert-butyl N-[1-cyano-2-(4-propan-2-yloxyphenyl)ethyl]carbamate

HRID 2137046Notes

Reaction equation

HRID 2137046 reaction equation
[CH2:44]([Cl:45])[Cl:46].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:1][C:2]([Cl:3])([Cl:4])[C:5]([O:6][C:7](=[O:8])[C:9]([Cl:10])([Cl:11])[Cl:12])=[O:13].[NH2:14][C:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]1)[NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])=[O:36]>>[N:14]#[C:15][CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH:25]([CH3:26])[CH3:27])[cH:22][cH:23]1)[NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 20079Trichloroacetic anhydrideHCID 67542254tert-butyl N-[1-amino-1-oxo-3-(4-propan-2-yloxyphenyl)propan-2-yl]carbamate

Product 1

HCID 67543178tert-butyl N-[1-cyano-2-(4-propan-2-yloxyphenyl)ethyl]carbamate

Sources & evidence

ORD record
ord-ad4653d7de3d44e2b7d1680d8bb2d44f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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