Ethanol → HCID 11545549, compound

HRID 157332Notes

Reaction equation

HRID 157332 reaction equation
[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[CH3:38][OH:39].[CH:1]([CH3:2])([CH3:3])[NH:4][n:5]1[c:6]([CH2:27][CH2:28][CH3:29])[n:7][c:8]2[c:9]([NH2:26])[n:10][c:11]3[cH:12][c:13]([CH:18]=[CH:19][c:20]4[cH:21][n:22][cH:23][cH:24][cH:25]4)[cH:14][cH:15][c:16]3[c:17]12.[H:30][H:31]>>[CH:1]([CH3:2])([CH3:3])[NH:4][n:5]1[c:6]([CH2:27][CH2:28][CH3:29])[n:7][c:8]2[c:9]([NH2:26])[n:10][c:11]3[cH:12][c:13]([CH2:18][CH2:19][c:20]4[cH:21][n:22][cH:23][cH:24][cH:25]4)[cH:14][cH:15][c:16]3[c:17]12

Participants

6

Reactant 5

HCID 702EthanolHCID 887MethanolHCID 6342AcetonitrileHCID 86596853HCID 86596853, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 11545549HCID 11545549, compound

Sources & evidence

ORD record
ord-a6c20a83449349da8539197ed734de65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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