Ethanol → Dofequidar

HRID 2314958Notes

Reaction equation

HRID 2314958 reaction equation
[CH3:37][CH2:38][OH:39].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][n:10][c:11]3[cH:12][cH:13][cH:14]2)[CH2:15]1.[c:16]1([CH:22]([C:23](=[O:24])[N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]2[cH:12][cH:13][cH:14]1)[CH2:15][N:28]1[CH2:27][CH2:26][N:25]([C:23]([CH:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:24])[CH2:30][CH2:29]1

Participants

4

Reactant 3

HCID 702EthanolHCID 796577HCID 796577, compoundHCID 112178995-(Oxiran-2-ylmethoxy)quinoline

Product 1

HCID 213040Dofequidar

Sources & evidence

ORD record
ord-3d6a4ee23ee1426da43e6bfed1b86f76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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