Bicarbonate Ion → tert-butyl 6,10-dioxo-7-(phenylmethoxycarbonylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylate

HRID 198196Notes

Reaction equation

HRID 198196 reaction equation
[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[NH2:12][CH:13]1[CH2:14][CH2:15][C:16](=[O:32])[N:17]2[N:18]([C:19]1=[O:20])[CH:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]2.[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:50]>>[C:2](=[O:3])([O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][CH:13]1[CH2:14][CH2:15][C:16](=[O:32])[N:17]2[N:18]([C:19]1=[O:20])[CH:21]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:22][CH2:23][CH2:24]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 312751,4-DioxaneHCID 11174000HCID 11174000, compound

Product 1

HCID 18465660tert-butyl 6,10-dioxo-7-(phenylmethoxycarbonylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylate

Sources & evidence

ORD record
ord-b54864c7ab5e41328d547d605cdbb194
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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