Ammonium → tert-Butyl 7-chloro-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate

HRID 676182Notes

Reaction equation

HRID 676182 reaction equation
[CH2:1]([O:3][C:4](=[O:2])[CH2:5][N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][c:15]1[c:16]([NH2:22])[cH:17][cH:18][c:19]([Cl:21])[cH:20]1)[CH3:23].[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl-:31].[K+:29].[NH4+:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:30]>>[O:3]=[C:4]1[CH2:5][N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][c:15]2[c:16]([cH:17][cH:18][c:19]([Cl:21])[cH:20]2)[NH:22]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 67364561HCID 67364561, compound

Product 1

HCID 67377785tert-Butyl 7-chloro-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate

Sources & evidence

ORD record
ord-8a95e82831704b7eb0e8d9832a49fba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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