Sodium ion → 2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)pyrrolidine-1-yl]ethanone

HRID 100271Notes

Reaction equation

HRID 100271 reaction equation
[CH3:25][N:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[CH3:32][N:33]([C:34]1([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[CH2:35][CH2:36][C:37](=[CH:40][C:41](=[O:42])[OH:43])[CH2:38][CH2:39]1)[CH3:50].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[CH:66]1([N:67]([CH:68]2[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]2)[C:74]([NH2:75])=[O:76])[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[NH:11]1[CH2:12][CH:13]([c:16]2[cH:17][nH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:14][CH2:15]1.[Na+:83].[OH-:82].[OH2:89].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[N:11]1([C:41]([CH:40]=[C:37]2[CH2:36][CH2:35][C:34]([N:33]([CH3:32])[CH3:50])([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:39][CH2:38]2)=[O:42])[CH2:12][CH:13]([c:16]2[cH:17][nH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:14][CH2:15]1

Participants

11

Reactant 10

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 184096763-(pyrrolidin-3-yl)-1H-indoleHCID 19906651DicyclohexylisoureaHCID 574382874-Dimethylamino-4-phenylcyclohexylidene-acetic acid

Product 1

HCID 104571352-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)pyrrolidine-1-yl]ethanone

Sources & evidence

ORD record
ord-7806e012a151452db2a2804dd84a224d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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