Methyl Ethyl Ketone → (3aSR,10RS)-2-(2-Bromo-ethyl)-6-chloro-10-(3-hydroxy-phenyl)-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione

HRID 678321Notes

Reaction equation

HRID 678321 reaction equation
[Br:27][CH2:28][CH2:29][N:30]=[C:31]=[O:32].[CH3:1][O:2][C:3](=[O:4])[C:5]1([CH3:26])[NH:6][CH:7]([c:19]2[cH:20][c:21]([OH:25])[cH:22][cH:23][cH:24]2)[c:8]2[nH:9][c:10]3[cH:11][cH:12][c:13]([Cl:18])[cH:14][c:15]3[c:16]2[CH2:17]1.[CH3:33][C:34](=[O:35])[CH2:36][CH3:37]>>[C:3]1(=[O:4])[C:5]2([CH3:26])[N:6]([CH:7]([c:19]3[cH:20][c:21]([OH:25])[cH:22][cH:23][cH:24]3)[c:8]3[nH:9][c:10]4[cH:11][cH:12][c:13]([Cl:18])[cH:14][c:15]4[c:16]3[CH2:17]2)[C:31](=[O:32])[N:30]1[CH2:29][CH2:28][Br:27]

Participants

4

Reactant 3

HCID 6569Methyl Ethyl KetoneHCID 42559572-Bromoethyl isocyanateHCID 68887684(1RS,3SR)-6-Chloro-1-(3-hydroxy-phenyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester

Product 1

HCID 68940637(3aSR,10RS)-2-(2-Bromo-ethyl)-6-chloro-10-(3-hydroxy-phenyl)-3a-methyl-3a,4,9,10-tetrahydro-2,9,10a-triaza-cyclopenta[b]fluorene-1,3-dione

Sources & evidence

ORD record
ord-c6f32caf13c04c3eb7c2d86b3d8edb0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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