Dimethylamine → (3aSR,10RS)-2-(2-Dimethylamino-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 1547581Notes

Reaction equation

HRID 1547581 reaction equation
[Br:1][CH2:2][CH2:3][N:4]1[C:5](=[O:32])[C:6]2([CH3:31])[N:7]([CH:8]([c:22]3[cH:23][c:24]([OH:28])[cH:25][cH:26][cH:27]3)[c:9]3[nH:10][c:11]4[cH:12][cH:13][c:14]([O:19][CH2:20][CH3:21])[cH:15][c:16]4[c:17]3[CH2:18]2)[C:29]1=[O:30].[CH3:33][NH:34][CH3:35].[CH3:69][C:70]#[N:71].[Na+:77].[Na+:78].[O-:79][C:80](=[O:81])[O-:82].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH2:68].[OH:36][c:37]1[cH:38][c:39]([CH:40]2[c:41]3[nH:42][c:43]4[c:44]([cH:45][c:46]([O:47][CH2:48][CH2:49][O:50][CH3:51])[cH:52][cH:53]4)[c:54]3[CH2:55][C:56]3([CH3:57])[C:58](=[O:59])[N:60]([CH3:61])[C:62](=[O:63])[N:64]23)[cH:65][cH:66][cH:67]1>>[CH2:2]([CH2:3][N:4]1[C:5](=[O:32])[C:6]2([CH3:31])[N:7]([CH:8]([c:22]3[cH:23][c:24]([OH:28])[cH:25][cH:26][cH:27]3)[c:9]3[nH:10][c:11]4[cH:12][cH:13][c:14]([O:19][CH2:20][CH3:21])[cH:15][c:16]4[c:17]3[CH2:18]2)[C:29]1=[O:30])[N:34]([CH3:33])[CH3:35]

Participants

9

Reactant 8

HCID 674DimethylamineHCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 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-dioneHCID 68941928HCID 68941928, compound

Product 1

HCID 68946359(3aSR,10RS)-2-(2-Dimethylamino-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-c539017286184c5a97b9aeb6fba91005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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