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

HRID 2151149Notes

Reaction equation

HRID 2151149 reaction equation
[Br-:1].[Cl:53][CH2:54][Cl:55].[K+:2].[NH2:33][CH:34]1[C:35](=[O:41])[N:36]2[CH:37]([C:38]([O:39][C:40]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH2:46][CH2:47][CH2:48][N:49]2[CH2:50][CH2:51][CH2:52]1.[O:3]=[C:4]1[CH:5]([NH:22][C:23]([CH2:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[CH2:6][CH2:7][CH2:8][N:9]2[N:10]1[CH:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2>>[O:3]=[C:4]1[CH:5]([NH:22][C:23]([CH2:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[O:32])[CH2:6][CH2:7][C:8](=[O:41])[N:9]2[N:10]1[CH:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:12][CH2:13][CH2:14]2

Participants

6

Reactant 5

HCID 259Bromide ionHCID 813Potassium CationHCID 6344DichloromethaneHCID 18465647HCID 18465647, compoundHCID 18465900HCID 18465900, compound

Product 1

HCID 18465746tert-butyl 6,10-dioxo-7-(3-phenylpropanoylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylate

Sources & evidence

ORD record
ord-0f86d7bc40d545f3a6cfe7a0beb1c1f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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