Acetic Acid → 5-[4-(2-Hydroxyethyl)piperazin-1-ylmethyl]indole

HRID 203656Notes

Reaction equation

HRID 203656 reaction equation
[C:12]([O:13][C:14]([O:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])=[O:23])([CH3:24])([CH3:25])[CH3:26].[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:36][C:37](=[O:38])[OH:39].[CH3:60][C:61]#[N:62].[CH3:63][N:64]([c:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1)[CH3:71].[CH:1](=[O:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][cH:11]1.[Na+:53].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[OH2:72].[OH:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1>>[CH2:1]([c:3]1[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][cH:11]1)[N:33]1[CH2:32][CH2:31][N:30]([CH2:29][CH2:28][OH:27])[CH2:35][CH2:34]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962WaterHCID 6342AcetonitrileHCID 76771-(2-Hydroxyethyl)piperazineHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 90495Di-tert-butyl dicarbonateHCID 589040Indole-5-carboxaldehydeHCID 2724942Triacetoxyborohydride

Product 1

HCID 684922255-[4-(2-Hydroxyethyl)piperazin-1-ylmethyl]indole

Sources & evidence

ORD record
ord-e0b41d9cbeb34d0083137b2933ce0fa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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