Diethyl Ether → (5-Oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl)-acetic acid tert-butyl ester

HRID 1221365Notes

Reaction equation

HRID 1221365 reaction equation
[Br:22][CH2:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30].[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[c:1]1(-[c:7]2[n:8][n:9][c:10]3[n:16]2-[c:15]2[c:14]([cH:20][cH:19][cH:18][cH:17]2)[NH:13][C:12](=[O:21])[CH2:11]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9][c:10]3[n:16]2-[c:15]2[c:14]([cH:20][cH:19][cH:18][cH:17]2)[N:13]([CH2:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[C:12](=[O:21])[CH2:11]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 79177tert-Butyl bromoacetateHCID 103560791-Phenyl-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5(6h)-one

Product 1

HCID 69313844(5-Oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl)-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-4d96c09c41df4968bacfe59aa7623e84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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