Ethanol → 2-Ethyl-9-methyl-13-(2-phenylethenyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

HRID 204022Notes

Reaction equation

HRID 204022 reaction equation
[CH2:1]([CH3:2])[N:3]1[c:4]2[c:5]([cH:24][cH:25][cH:26][n:27]2)[N:6]([CH3:23])[C:7](=[O:22])[c:8]2[c:9]1[n:10][cH:11][c:12]([C:14]#[C:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:13]2.[CH3:30][CH2:31][OH:32].[H:28][H:29]>>[CH2:1]([CH3:2])[N:3]1[c:4]2[c:5]([cH:24][cH:25][cH:26][n:27]2)[N:6]([CH3:23])[C:7](=[O:22])[c:8]2[c:9]1[n:10][cH:11][c:12]([CH:14]=[CH:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:13]2

Participants

4

Reactant 3

HCID 702EthanolHCID 105701215,11-Dihydro-11-ethyl-5-methyl-8-phenylethynyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneHCID 178418361HCID 178418361, compound

Product 1

HCID 4707272-Ethyl-9-methyl-13-(2-phenylethenyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Sources & evidence

ORD record
ord-97eec624f2a542668e37742cadbc262d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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