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

HRID 1546100Notes

Reaction equation

HRID 1546100 reaction equation
[Br:29][CH2:30][CH2:31][N:32]=[C:33]=[O:34].[CH3:1][O:2][C:3](=[O:4])[C:5]1([CH3:28])[NH:6][CH:7]([c:21]2[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]2)[c:8]2[nH:9][c:10]3[cH:11][cH:12][c:13]([O:18][CH2:19][CH3:20])[cH:14][c:15]3[c:16]2[CH2:17]1.[CH3:35][C:36](=[O:37])[CH2:38][CH3:39]>>[C:3]1(=[O:4])[C:5]2([CH3:28])[N:6]([CH:7]([c:21]3[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]3)[c:8]3[nH:9][c:10]4[cH:11][cH:12][c:13]([O:18][CH2:19][CH3:20])[cH:14][c:15]4[c:16]3[CH2:17]2)[C:33](=[O:34])[N:32]1[CH2:31][CH2:30][Br:29]

Participants

4

Reactant 3

HCID 6569Methyl Ethyl KetoneHCID 42559572-Bromoethyl isocyanateHCID 68886227(1RS,3SR)-1-(3-hydroxy-phenyl)-6-ethoxy-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester

Product 1

HCID 68937590(3aSR,10RS)-2-(2-Bromo-ethyl)-6-ethoxy-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-ee42d8ba9a474e3dba1d7dcc821aa631
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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